data_2n9j_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 2n9j _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 1.0 0 N-CA-C 111.014 -0.834 . . . . 61.299999999999997 111.014 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -61.52 127.71 32.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 74.519999999999996 109.299 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.1 m -78.14 -35.95 20.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.598 1.186 . . . . 75.340000000000003 109.327 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 7' ' ' LYS . 28.3 mt-10 -47.97 -58.63 4.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 73.120000000000005 110.27 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -49.13 -24.08 1.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 75.510000000000005 109.308 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.1 -24.85 15.67 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 72.040000000000006 111.004 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.561 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 0.7 OUTLIER -71.18 -61.17 1.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 75.299999999999997 109.29 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -53.18 -47.48 68.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 65.219999999999999 109.318 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.434 HG21 ' CE ' ' A' ' 13' ' ' LYS . 28.1 mt -60.67 -42.03 90.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 74.319999999999993 109.304 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -65.14 -16.94 64.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 73.319999999999993 111.013 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.3 mt -86.48 -61.16 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 74.439999999999998 109.296 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 44.2 mtt -59.06 -15.43 13.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 74.120000000000005 110.958 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.434 ' CE ' HG21 ' A' ' 9' ' ' ILE . 51.6 mttt -109.37 -42.76 4.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 74.310000000000002 109.272 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.82 77.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 71.230000000000004 108.271 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 p -109.37 131.25 55.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 63.310000000000002 110.013 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 38.92 47.22 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 73.530000000000001 110.344 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -137.79 -50.23 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 75.409999999999997 108.28 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.436 ' O ' ' CG2' ' A' ' 19' ' ' THR . 10.8 m-70 -103.57 -174.8 2.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 64.329999999999998 109.587 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.436 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 9.4 p -156.08 155.58 32.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 73.310000000000002 110.419 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.3 m -136.45 -47.66 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 75.129999999999995 109.288 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 64.120000000000005 110.291 179.984 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.308 -0.627 . . . . 71.510000000000005 109.308 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -67.83 125.73 27.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.118 . . . . 74.519999999999996 109.624 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -123.43 -103.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 74.230000000000004 109.322 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.9 m -69.94 -39.93 75.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 72.129999999999995 110.427 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -130.81 176.01 19.15 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 73.329999999999998 110.985 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.478 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -74.98 151.02 39.11 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 64.109999999999999 111.044 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 32' ' ' LEU . 8.4 t-20 -75.61 158.95 31.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 72.230000000000004 109.313 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.4 ' N ' ' OD1' ' A' ' 31' ' ' ASN . 10.3 mt -128.61 98.9 5.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 75.230000000000004 109.283 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -118.41 -50.37 2.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 64.430000000000007 109.592 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.436 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -101.43 28.05 17.76 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.506 1.129 . . . . 75.209999999999994 110.965 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 tp -41.7 -73.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 74.120000000000005 109.308 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.563 ' CD1' ' HG3' ' A' ' 99' ' ' LYS . 52.9 m-85 -59.8 103.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 72.530000000000001 110.974 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.17 14.96 15.27 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.116 . . . . 54.109999999999999 110.998 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.436 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 19.3 ttp180 -137.7 137.99 38.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 74.230000000000004 110.315 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -77.32 -174.1 3.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 73.120000000000005 109.257 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.3 p -87.8 157.35 19.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 75.439999999999998 110.408 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.524 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 60.68 39.17 96.25 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.431 1.082 . . . . 62.5 111.028 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -103.52 27.55 7.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 74.219999999999999 110.289 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.464 ' CB ' ' OH ' ' A' ' 48' ' ' TYR . . . -110.44 98.88 38.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 73.209999999999994 109.304 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 0.19 9.2 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.534 1.807 . . . . 71.209999999999994 110.992 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.44 -14.33 26.02 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.098 . . . . 63.409999999999997 110.986 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.594 ' O ' ' CE1' ' A' ' 48' ' ' TYR . 15.7 t80 -152.31 102.52 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 0.752 . . . . 73.200000000000003 110.998 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.4 m -74.85 133.65 41.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 74.420000000000002 109.978 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.594 ' CE1' ' O ' ' A' ' 46' ' ' TYR . 3.1 m-30 -93.85 -168.31 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 74.5 111.019 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 p -70.82 -175.96 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 75.150000000000006 110.398 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.92 -3.35 54.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 65.450000000000003 109.319 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -95.82 -39.33 9.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 73.129999999999995 109.335 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -80.85 -41.35 23.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 72.120000000000005 109.322 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -63.74 -15.27 58.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 75.030000000000001 109.295 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -98.0 -8.98 26.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 73.209999999999994 109.299 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -77.05 57.23 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 71.129999999999995 109.31 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.457 ' O ' ' CG2' ' A' ' 57' ' ' ILE . . . -62.77 85.93 0.05 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 74.099999999999994 110.992 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.457 ' CG2' ' O ' ' A' ' 56' ' ' GLY . 2.4 pp -154.98 146.04 13.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.776 . . . . 74.010000000000005 109.298 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.6 mm -76.86 151.24 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 74.329999999999998 109.319 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 19.1 m95 -97.69 87.9 4.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 75.239999999999995 108.034 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -107.34 -176.88 22.65 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 64.519999999999996 111.007 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -77.93 -13.84 59.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 0.742 . . . . 71.140000000000001 110.344 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -88.96 -30.64 18.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 64.109999999999999 109.266 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 64' ' ' LEU . 63.1 p -91.06 -54.83 3.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 73.219999999999999 110.411 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 63' ' ' THR . 27.8 mt -40.63 -40.89 1.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 75.519999999999996 109.303 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.499 ' CE ' ' CB ' ' A' ' 91' ' ' ARG . 2.5 tpt -53.54 -68.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 75.319999999999993 110.958 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.05 -60.94 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 74.209999999999994 110.265 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.528 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 81.4 t80 -48.21 -41.19 26.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 73.530000000000001 111.012 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.452 HD11 ' CG1' ' A' ' 95' ' ' ILE . 18.5 mt -63.05 -33.36 75.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 71.439999999999998 109.338 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.406 ' HB2' ' NH1' ' A' ' 91' ' ' ARG . 33.6 tt0 -71.38 -39.27 71.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 72.120000000000005 110.311 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -163.06 83.91 1.45 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 64.519999999999996 109.291 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.528 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.02 -30.73 6.82 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.801 . . . . 74.420000000000002 111.024 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -51.62 -53.47 38.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 72.430000000000007 109.311 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -38.81 83.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 74.439999999999998 109.285 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -53.13 -32.04 45.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 73.430000000000007 110.981 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.5 mt -146.84 89.9 5.59 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 74.530000000000001 109.316 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 143.84 29.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.508 1.794 . . . . 75.430000000000007 110.993 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.47 23.84 74.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.554 1.159 . . . . 64.010000000000005 111.031 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.5 t -84.6 -179.66 7.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 74.510000000000005 110.441 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.45 -28.8 12.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 71.340000000000003 109.273 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 8.0 ttt -63.3 132.85 52.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 75.049999999999997 110.997 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.8 mt -112.41 128.59 68.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 73.129999999999995 109.294 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -163.48 155.93 18.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 74.409999999999997 111.033 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.5 m -98.37 -35.44 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 72.200000000000003 109.304 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 118.12 176.9 17.05 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.439 1.087 . . . . 73.519999999999996 110.999 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 14.4 mt -127.13 142.3 43.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 73.430000000000007 109.319 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -90.88 -67.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 74.439999999999998 109.337 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -51.98 133.26 32.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 74.420000000000002 109.309 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -83.68 -23.71 31.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 73.519999999999996 109.318 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.7 mp0 -70.79 -48.09 56.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 73.439999999999998 110.333 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.78 -25.26 54.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 64.239999999999995 110.328 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.499 ' CB ' ' CE ' ' A' ' 65' ' ' MET . 48.6 mtm180 -81.41 -37.31 28.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 75.239999999999995 110.295 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 96' ' ' ALA . . . -59.96 -59.25 5.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 64.010000000000005 109.279 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -54.19 -32.9 56.85 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 75.329999999999998 109.325 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.16 -42.83 96.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 75.239999999999995 109.333 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.452 ' CG1' HD11 ' A' ' 68' ' ' LEU . 21.5 mt -83.08 -15.77 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 73.239999999999995 109.311 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 92' ' ' ALA . . . -77.08 -24.61 51.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 72.299999999999997 109.287 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.561 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 3.3 t80 -96.18 -47.73 5.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 74.519999999999996 110.976 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.483 ' O ' ' CG2' ' A' ' 102' ' ' THR . 24.3 mt -53.07 -28.96 27.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 73.239999999999995 109.318 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.563 ' HG3' ' CD1' ' A' ' 36' ' ' PHE . 76.7 tttt -72.17 -44.39 63.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 74.099999999999994 109.326 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -78.17 -15.02 59.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 72.120000000000005 109.334 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -85.8 -38.78 17.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 75.140000000000001 109.333 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 98' ' ' LEU . 57.1 p -79.73 -49.58 11.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 73.420000000000002 110.424 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -47.09 -54.98 9.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 74.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 74.299999999999997 110.241 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.021 -0.832 . . . . 61.299999999999997 111.021 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -51.49 118.68 3.48 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.485 0.756 . . . . 74.519999999999996 109.316 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.0 OUTLIER -78.72 -39.1 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 75.340000000000003 109.283 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 7' ' ' LYS . 7.1 mm-40 -48.79 -57.11 6.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 73.120000000000005 110.317 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.496 ' O ' ' CD1' ' A' ' 9' ' ' ILE . 4.6 mptp? -48.46 -24.46 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 75.510000000000005 109.372 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 10' ' ' PHE . . . -96.61 -24.9 12.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 72.040000000000006 111.057 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.574 ' CD ' ' CZ ' ' A' ' 97' ' ' TYR . 12.4 tptm -63.9 -37.76 88.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 0.814 . . . . 75.299999999999997 109.324 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.542 ' N ' ' CD ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -77.77 -52.53 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 65.219999999999999 109.27 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 5' ' ' LYS . 42.8 mt -60.09 -25.28 32.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 74.319999999999993 109.291 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.498 ' CB ' ' O ' ' A' ' 6' ' ' GLY . 10.1 t80 -66.4 -30.79 71.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 73.319999999999993 110.982 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.6 mt -81.66 -70.56 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 74.439999999999998 109.418 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 12.4 mmt -39.38 -31.36 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 74.120000000000005 111.018 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -98.25 -38.8 9.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 74.310000000000002 109.36 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.9 OUTLIER -133.23 80.95 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 71.230000000000004 108.244 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.0 p -82.07 -86.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 63.310000000000002 110.021 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -112.9 59.21 0.65 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.596 1.185 . . . . 73.530000000000001 110.334 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.401 ' O ' ' OG1' ' A' ' 28' ' ' THR . 1.3 m -131.93 -50.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 75.409999999999997 108.278 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -112.19 167.15 10.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 64.329999999999998 109.579 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.1 p -136.26 173.85 11.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 73.310000000000002 110.408 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.1 m -138.2 -51.25 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 75.129999999999995 109.276 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.174 . . . . 64.120000000000005 110.356 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.294 -0.632 . . . . 71.510000000000005 109.294 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -106.1 131.02 53.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 74.519999999999996 109.582 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -117.64 -99.46 0.44 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.551 1.157 . . . . 74.230000000000004 109.303 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 17' ' ' CYS . 16.4 p -74.39 -35.46 63.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 72.129999999999995 110.461 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.49 172.95 22.53 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.49 1.119 . . . . 73.329999999999998 111.031 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.517 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -75.0 147.61 34.13 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.403 1.739 . . . . 64.109999999999999 111.042 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' A' ' 32' ' ' LEU . 7.2 t-20 -63.64 168.41 4.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 72.230000000000004 109.299 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.403 ' N ' ' OD1' ' A' ' 31' ' ' ASN . 8.8 mp -117.89 86.1 2.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 75.230000000000004 109.298 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -119.44 -56.36 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 64.430000000000007 109.62 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.09 25.39 27.98 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 75.209999999999994 110.97 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.0 tp -40.48 -74.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 74.120000000000005 109.299 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.535 ' CE1' ' HB2' ' A' ' 99' ' ' LYS . 58.1 m-85 -63.83 95.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 72.530000000000001 110.933 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.66 31.85 2.05 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.433 1.083 . . . . 54.109999999999999 111.005 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -142.39 108.24 5.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 0.737 . . . . 74.230000000000004 110.337 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.58 177.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.595 1.184 . . . . 73.120000000000005 109.277 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.0 p -77.08 162.35 27.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 75.439999999999998 110.446 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.528 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 41.2 56.59 3.29 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.517 1.136 . . . . 62.5 111.035 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 43' ' ' ALA . 41.9 mm-40 -112.27 -29.46 7.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 0.756 . . . . 74.219999999999999 110.294 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.415 ' CB ' ' OH ' ' A' ' 48' ' ' TYR . . . -39.44 99.85 0.2 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 73.209999999999994 109.264 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.0 Cg_endo -75.05 61.2 5.66 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.52 1.8 . . . . 71.209999999999994 110.969 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -177.6 -47.38 0.07 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.527 1.142 . . . . 63.409999999999997 110.985 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -110.88 123.75 50.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 0.722 . . . . 73.200000000000003 110.955 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.9 p -96.22 139.87 31.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 74.420000000000002 109.923 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.528 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 1.8 m-30 -96.36 -174.09 2.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 74.5 111.02 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.5 p -69.15 168.41 14.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 75.150000000000006 110.395 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.84 -15.46 61.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 65.450000000000003 109.231 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.87 -25.82 32.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.387 1.054 . . . . 73.129999999999995 109.242 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -90.58 -62.37 1.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.603 1.189 . . . . 72.120000000000005 109.361 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -40.79 -29.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 75.030000000000001 109.293 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.449 ' N ' ' C ' ' A' ' 52' ' ' ASN . 3.1 t-20 -62.5 -53.78 49.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 73.209999999999994 109.324 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' ASN . 7.1 tptt -40.52 145.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 71.129999999999995 109.339 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.29 78.87 0.27 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.463 1.102 . . . . 74.099999999999994 110.99 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.9 pp -149.88 172.52 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.742 . . . . 74.010000000000005 109.268 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.2 mm -104.58 148.43 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 74.329999999999998 109.315 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.494 ' CE3' HD22 ' A' ' 64' ' ' LEU . 80.2 m95 -93.14 146.82 23.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 75.239999999999995 108.021 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.422 ' O ' ' CD1' ' A' ' 64' ' ' LEU . . . -165.45 -145.56 4.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.122 . . . . 64.519999999999996 111.044 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -86.98 -47.18 9.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 0.747 . . . . 71.140000000000001 110.336 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -68.46 -64.13 0.92 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 64.109999999999999 109.294 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.8 p -41.2 -54.22 2.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 73.219999999999999 110.419 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.494 HD22 ' CE3' ' A' ' 59' ' ' TRP . 69.2 mt -59.25 -60.0 4.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 75.519999999999996 109.312 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.465 ' CE ' ' HB2' ' A' ' 91' ' ' ARG . 30.0 tpp -43.13 -32.25 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 75.319999999999993 111.023 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -79.25 -39.24 33.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 74.209999999999994 110.303 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.604 ' CE1' ' CB ' ' A' ' 71' ' ' PRO . 12.2 t80 -64.79 -51.84 60.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 73.530000000000001 110.986 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -49.09 -44.95 42.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 71.439999999999998 109.319 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -49.12 -44.31 42.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 72.120000000000005 110.391 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -167.23 85.6 0.81 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 64.519999999999996 109.313 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.604 ' CB ' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.97 -0.67 10.23 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.423 1.749 . . . . 74.420000000000002 110.993 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -84.03 -30.18 26.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 72.430000000000007 109.273 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -84.86 -41.43 16.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 74.439999999999998 109.288 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -56.95 -37.88 72.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 73.430000000000007 111.034 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.7 mt -147.95 90.38 5.1 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 74.530000000000001 109.257 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 122.34 7.13 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 75.430000000000007 111.061 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.71 -12.19 35.38 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.477 1.11 . . . . 64.010000000000005 111.02 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.8 t -52.3 167.48 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 0.756 . . . . 74.510000000000005 110.38 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 81' ' ' ILE . 3.1 mtmp? -88.81 -17.37 29.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 71.340000000000003 109.348 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 15.1 mmm -52.94 88.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 75.049999999999997 111.011 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.469 ' CG2' ' O ' ' A' ' 81' ' ' ILE . 14.1 mm -72.01 72.5 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 73.129999999999995 109.354 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -140.51 156.39 46.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.091 . . . . 74.409999999999997 110.973 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.6 m -105.95 -29.42 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 72.200000000000003 109.32 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 122.98 -178.18 16.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 73.519999999999996 111.025 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 20.3 mt -114.89 140.31 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.769 . . . . 73.430000000000007 109.345 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.2 mttp -79.59 -69.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 74.439999999999998 109.359 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -56.61 109.15 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 74.420000000000002 109.293 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.72 -17.71 63.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 73.519999999999996 109.303 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -82.07 -15.83 52.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 73.439999999999998 110.271 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -82.86 -13.37 56.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 64.239999999999995 110.276 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.465 ' HB2' ' CE ' ' A' ' 65' ' ' MET . 23.3 mtt180 -96.51 -30.17 13.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 75.239999999999995 110.317 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.85 -21.29 62.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 64.010000000000005 109.338 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -92.99 -37.81 11.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 75.329999999999998 109.421 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.35 -40.53 81.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 75.239999999999995 109.29 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 50.0 mt -78.53 -19.4 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.082 . . . . 73.239999999999995 109.266 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.98 -38.54 61.62 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 72.299999999999997 109.292 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.574 ' CZ ' ' CD ' ' A' ' 7' ' ' LYS . 1.6 t80 -79.81 -44.65 20.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 74.519999999999996 110.908 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 17.8 mt -48.72 -49.93 35.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 73.239999999999995 109.353 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.535 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 57.5 tttm -56.34 -43.5 79.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 74.099999999999994 109.326 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -72.89 -19.07 61.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 72.120000000000005 109.291 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -79.03 -38.19 37.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 75.140000000000001 109.333 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.8 p -77.86 -45.77 23.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 73.420000000000002 110.461 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -41.04 -67.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 74.0 109.356 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 74.299999999999997 110.353 179.956 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.994 -0.842 . . . . 61.299999999999997 110.994 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -48.28 118.02 2.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 0.757 . . . . 74.519999999999996 109.279 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.0 OUTLIER -79.08 -41.36 23.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 75.340000000000003 109.327 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.9 mp0 -45.28 -52.79 9.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 73.120000000000005 110.274 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.495 ' O ' ' CD1' ' A' ' 9' ' ' ILE . 1.8 mptp? -52.5 -32.44 40.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 75.510000000000005 109.322 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -88.76 -20.47 47.18 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.439 1.087 . . . . 72.040000000000006 110.97 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.572 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 9.1 ttpp -72.65 -33.02 66.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 0.758 . . . . 75.299999999999997 109.279 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -87.36 -25.34 23.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 65.219999999999999 109.305 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.495 ' CD1' ' O ' ' A' ' 5' ' ' LYS . 72.8 mt -83.37 -30.16 8.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 74.319999999999993 109.299 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.446 ' CE1' HD21 ' A' ' 98' ' ' LEU . 37.9 t80 -77.49 -23.48 50.3 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.463 1.102 . . . . 73.319999999999993 111.033 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.457 ' CD1' ' O ' ' A' ' 7' ' ' LYS . 64.5 mt -86.73 -55.47 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 74.439999999999998 109.298 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 20.1 mtm -57.38 -16.36 8.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 74.120000000000005 111.02 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -114.33 -36.61 4.6 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.443 1.089 . . . . 74.310000000000002 109.298 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -130.11 79.78 1.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 71.230000000000004 108.302 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 2.4 p -120.06 141.05 50.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 63.310000000000002 110.041 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 43.32 41.41 3.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 73.530000000000001 110.289 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.15 -49.76 0.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 75.409999999999997 108.27 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -100.77 -176.73 3.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 64.329999999999998 109.547 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.403 ' HB ' ' ND2' ' A' ' 31' ' ' ASN . 20.2 p -153.12 138.22 17.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 73.310000000000002 110.436 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.5 m -118.98 -42.98 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.384 1.052 . . . . 75.129999999999995 109.305 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 64.120000000000005 110.375 179.941 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.293 -0.632 . . . . 71.510000000000005 109.293 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -94.91 84.12 4.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 74.519999999999996 109.597 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 29' ' ' GLY . 21.8 mmmt -53.53 -175.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 74.230000000000004 109.252 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.9 m -38.83 -31.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 72.129999999999995 110.417 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -116.09 163.09 12.41 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 73.329999999999998 111.007 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 151.48 39.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 64.109999999999999 110.971 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 32' ' ' LEU . 26.9 t-20 -81.07 151.86 28.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 72.230000000000004 109.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.434 ' N ' ' OD1' ' A' ' 31' ' ' ASN . 0.2 OUTLIER -116.42 94.08 4.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 75.230000000000004 109.24 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -108.18 -53.5 2.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 64.430000000000007 109.57 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -102.15 25.14 28.82 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.108 . . . . 75.209999999999994 110.957 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.479 HD12 ' CD1' ' A' ' 59' ' ' TRP . 12.3 tp -40.53 -58.85 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.754 . . . . 74.120000000000005 109.279 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 99' ' ' LYS . 51.2 m-85 -79.53 81.39 5.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 72.530000000000001 111.103 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.98 -10.5 3.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.4 1.062 . . . . 54.109999999999999 111.026 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.409 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 36.8 ttm-85 -108.61 127.4 53.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 74.230000000000004 110.345 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.1 -171.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 73.120000000000005 109.296 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.457 HG21 ' CE2' ' A' ' 59' ' ' TRP . 2.3 p -104.51 111.4 24.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 75.439999999999998 110.332 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.45 44.84 2.45 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.528 1.143 . . . . 62.5 111.009 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.419 ' N ' ' CD ' ' A' ' 42' ' ' GLN . 3.0 mm100 -113.21 -17.56 12.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 0.78 . . . . 74.219999999999999 110.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.49 ' HB1' ' CZ ' ' A' ' 48' ' ' TYR . . . -39.52 99.9 0.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 73.209999999999994 109.307 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.5 Cg_endo -74.94 -0.15 9.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 71.209999999999994 110.958 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.09 -14.86 15.7 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.574 1.171 . . . . 63.409999999999997 111.041 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -165.46 124.58 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 73.200000000000003 110.978 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 57.8 m -94.51 141.63 28.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 74.420000000000002 110.01 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.592 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -95.08 -174.77 3.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 74.5 110.993 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.458 HG22 ' CD ' ' A' ' 79' ' ' LYS . 2.7 p -52.86 179.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 75.150000000000006 110.449 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.59 6.13 39.56 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.433 1.083 . . . . 65.450000000000003 109.292 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.62 -49.86 4.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.395 1.059 . . . . 73.129999999999995 109.31 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.71 -47.94 61.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 72.120000000000005 109.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -51.9 -30.92 26.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 75.030000000000001 109.296 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.43 -31.76 67.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 73.209999999999994 109.243 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.3 tptp -55.82 138.82 47.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 71.129999999999995 109.263 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.1 72.13 0.47 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 74.099999999999994 110.976 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.4 pp -151.29 142.72 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.78 . . . . 74.010000000000005 109.311 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.0 mm -79.26 126.47 39.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 74.329999999999998 109.239 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.479 ' CD1' HD12 ' A' ' 35' ' ' LEU . 21.2 m95 -61.68 148.21 43.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 75.239999999999995 107.96 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -157.18 -156.47 7.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 64.519999999999996 111.007 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.6 mp0 -83.78 -47.89 10.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 0.795 . . . . 71.140000000000001 110.315 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -65.11 -58.76 5.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 64.109999999999999 109.249 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.8 p -47.94 -38.8 17.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 73.219999999999999 110.364 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.434 HD22 ' CE3' ' A' ' 59' ' ' TRP . 29.4 mt -75.99 -32.54 59.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 75.519999999999996 109.311 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.9 tpt -53.66 -58.23 7.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 75.319999999999993 110.963 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -67.16 -51.07 58.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 74.209999999999994 110.304 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.518 ' HB2' ' CD2' ' A' ' 74' ' ' TYR . 56.3 t80 -49.9 -69.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 73.530000000000001 111.006 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -42.26 -51.23 4.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 71.439999999999998 109.279 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -47.81 -44.85 29.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 72.120000000000005 110.32 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -165.71 87.3 0.95 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 64.519999999999996 109.309 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.444 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.6 Cg_endo -74.93 -13.48 21.56 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.531 1.806 . . . . 74.420000000000002 110.993 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -64.51 -15.98 61.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 72.430000000000007 109.326 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.28 -33.68 7.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 74.439999999999998 109.262 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.518 ' CD2' ' HB2' ' A' ' 67' ' ' TYR . 2.1 t80 -66.65 -41.46 88.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 73.430000000000007 111.022 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.0 mt -134.92 86.19 33.17 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 74.530000000000001 109.342 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 109.03 2.85 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.559 1.821 . . . . 75.430000000000007 111.019 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 127.3 -17.14 6.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.486 1.116 . . . . 64.010000000000005 110.972 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.0 t -47.04 168.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 0.736 . . . . 74.510000000000005 110.386 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.458 ' CD ' HG22 ' A' ' 49' ' ' THR . 7.9 pttt -120.93 38.94 3.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 71.340000000000003 109.354 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.8 ttt -103.33 119.26 38.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 75.049999999999997 110.979 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.2 mm -81.17 113.47 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 73.129999999999995 109.235 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.467 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 7.3 t80 -170.16 165.5 9.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 74.409999999999997 111.002 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.416 HG23 ' N ' ' A' ' 84' ' ' GLY . 32.8 m -110.4 -44.21 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 72.200000000000003 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.467 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 118.1 161.09 11.81 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.46 1.1 . . . . 73.519999999999996 110.955 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.5 mt -102.61 163.79 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 73.430000000000007 109.326 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -110.28 -73.81 0.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 74.439999999999998 109.331 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -46.9 116.01 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 74.420000000000002 109.319 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? -60.91 -50.0 75.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 73.519999999999996 109.336 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -49.05 -41.75 36.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 73.439999999999998 110.319 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -56.1 -39.94 72.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 64.239999999999995 110.288 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 84.6 mtm-85 -66.59 -23.08 66.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 75.239999999999995 110.375 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 96' ' ' ALA . . . -74.01 -51.25 16.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 64.010000000000005 109.37 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 94' ' ' LEU . 1.3 p30 -57.85 -29.76 65.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 75.329999999999998 109.294 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.436 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 1.7 tt -80.8 -41.1 23.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.587 1.18 . . . . 75.239999999999995 109.377 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 61.1 mt -74.22 -16.42 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 73.239999999999995 109.329 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 92' ' ' ALA . . . -79.67 -30.57 41.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 72.299999999999997 109.285 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.572 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 3.2 t80 -88.59 -54.01 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 74.519999999999996 110.983 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.446 HD21 ' CE1' ' A' ' 10' ' ' PHE . 14.1 mt -48.78 -36.02 15.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 73.239999999999995 109.338 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 56.3 tttp -69.98 -40.61 75.26 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.43 1.081 . . . . 74.099999999999994 109.302 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -77.19 -15.03 59.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 72.120000000000005 109.32 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -84.56 -39.94 18.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 75.140000000000001 109.293 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.434 ' CG2' ' O ' ' A' ' 98' ' ' LEU . 51.9 p -79.29 -35.47 41.23 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 73.420000000000002 110.424 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -69.58 -60.84 2.06 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.089 . . . . 74.0 109.351 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 74.299999999999997 110.316 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.974 -0.85 . . . . 61.299999999999997 110.974 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -75.81 142.62 42.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 0.807 . . . . 74.519999999999996 109.347 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.0 OUTLIER -79.07 -36.97 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 75.340000000000003 109.288 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 7' ' ' LYS . 36.2 mt-10 -47.57 -58.1 4.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 73.120000000000005 110.313 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.491 ' O ' ' CD1' ' A' ' 9' ' ' ILE . 1.4 mptm? -49.11 -25.27 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 75.510000000000005 109.299 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 10' ' ' PHE . . . -94.33 -24.6 18.51 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.12 . . . . 72.040000000000006 110.973 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.571 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 25.5 tttt -74.97 -30.79 61.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 0.743 . . . . 75.299999999999997 109.345 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -83.96 -30.67 26.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 65.219999999999999 109.354 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' A' ' 5' ' ' LYS . 60.4 mt -84.76 -23.24 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 74.319999999999993 109.307 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.569 ' CE1' HG11 ' A' ' 20' ' ' VAL . 21.1 t80 -75.92 -20.6 57.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 73.319999999999993 111.013 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.424 ' O ' ' CB ' ' A' ' 15' ' ' SER . 63.0 mt -82.97 -62.89 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 74.439999999999998 109.266 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -20.25 13.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.152 . . . . 74.120000000000005 111.032 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 9' ' ' ILE . 5.3 mmpt? -103.95 -35.07 8.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 74.310000000000002 109.286 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -137.12 81.05 1.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 71.230000000000004 108.329 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 2.4 t -119.92 140.56 50.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 63.310000000000002 109.981 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 54.76 29.3 11.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 73.530000000000001 110.312 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.0 m -133.18 -57.73 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 75.409999999999997 108.329 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -103.11 161.37 13.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 64.329999999999998 109.616 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.53 ' HG1' ' ND2' ' A' ' 31' ' ' ASN . 72.7 p -119.35 -39.59 2.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 73.310000000000002 110.343 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.569 HG11 ' CE1' ' A' ' 10' ' ' PHE . 9.3 m 49.26 27.33 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.075 . . . . 75.129999999999995 109.26 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.442 ' CG ' ' HB ' ' A' ' 19' ' ' THR . 2.8 pt-20 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 64.120000000000005 110.272 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.313 -0.625 . . . . 71.510000000000005 109.313 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -89.86 75.6 7.25 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.559 1.162 . . . . 74.519999999999996 109.564 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.434 ' C ' ' N ' ' A' ' 29' ' ' GLY . 12.5 mtmt -53.27 -175.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.599 1.187 . . . . 74.230000000000004 109.231 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 m -38.79 -29.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 72.129999999999995 110.434 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.434 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . -115.53 159.42 13.81 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 73.329999999999998 110.985 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 149.47 36.99 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.525 1.803 . . . . 64.109999999999999 111.054 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.53 ' ND2' ' HG1' ' A' ' 19' ' ' THR . 3.7 t-20 -76.13 164.18 26.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 72.230000000000004 109.261 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.465 ' CD2' ' N ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -128.93 100.62 5.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 75.230000000000004 109.302 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.494 ' O ' ' CA ' ' A' ' 102' ' ' THR . 8.5 t-160 -111.55 -71.46 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 64.430000000000007 109.615 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 35' ' ' LEU . . . -102.09 28.06 17.6 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.499 1.125 . . . . 75.209999999999994 110.964 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.436 HD13 ' CG ' ' A' ' 59' ' ' TRP . 3.9 tp -40.51 -46.89 2.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 74.120000000000005 109.333 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 99' ' ' LYS . 9.4 m-85 -78.03 82.35 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 72.530000000000001 111.009 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.18 -12.62 3.05 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.484 1.115 . . . . 54.109999999999999 111.001 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.406 ' CD ' ' HA ' ' A' ' 35' ' ' LEU . 8.6 ptp180 -97.11 152.16 19.06 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.516 0.774 . . . . 74.230000000000004 110.279 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -80.99 170.19 16.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 73.120000000000005 109.34 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.2 p -76.18 109.76 10.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 75.439999999999998 110.418 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.443 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 88.64 50.17 3.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 62.5 110.998 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 43' ' ' ALA . 46.6 mm-40 -114.15 -14.56 12.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 0.742 . . . . 74.219999999999999 110.319 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.506 ' HB1' ' CZ ' ' A' ' 48' ' ' TYR . . . -39.59 99.97 0.21 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 73.209999999999994 109.265 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.4 Cg_endo -75.0 73.24 4.39 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 71.209999999999994 111.015 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.48 -49.74 0.2 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.532 1.145 . . . . 63.409999999999997 110.935 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -121.94 81.97 1.89 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.476 0.75 . . . . 73.200000000000003 111.058 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.4 p -55.85 130.17 42.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 74.420000000000002 110.042 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.506 ' CZ ' ' HB1' ' A' ' 43' ' ' ALA . 6.3 m-30 -80.32 -175.02 4.89 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.481 1.113 . . . . 74.5 110.955 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 36.7 p -72.38 -179.46 2.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 75.150000000000006 110.367 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.19 12.58 13.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 65.450000000000003 109.326 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.449 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -96.61 -38.9 9.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 73.129999999999995 109.324 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.499 ' OD1' ' CD1' ' A' ' 75' ' ' ILE . 2.2 t30 -100.75 -19.53 15.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 72.120000000000005 109.332 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.0 tttp -76.41 -29.26 57.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 75.030000000000001 109.273 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 14.3 p30 -71.98 -27.01 62.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 73.209999999999994 109.344 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.464 ' HE3' ' CE1' ' A' ' 74' ' ' TYR . 13.1 mmtt -55.56 156.68 4.49 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 71.129999999999995 109.32 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -138.19 16.75 3.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 74.099999999999994 110.941 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.486 ' CD1' ' OH ' ' A' ' 74' ' ' TYR . 2.2 pp -90.55 178.98 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.433 0.725 . . . . 74.010000000000005 109.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 30.7 mm -116.12 134.26 60.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 74.329999999999998 109.357 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.436 ' CG ' HD13 ' A' ' 35' ' ' LEU . 28.4 m95 -72.75 89.89 1.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 75.239999999999995 107.981 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -116.37 -147.88 8.92 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 64.519999999999996 111.075 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -89.56 -59.68 2.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 71.140000000000001 110.288 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -50.57 -44.23 56.64 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.525 1.14 . . . . 64.109999999999999 109.269 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.7 p -65.0 -58.46 6.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 73.219999999999999 110.358 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.7 mt -42.87 -47.86 5.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 75.519999999999996 109.32 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.425 ' CE ' ' HB3' ' A' ' 91' ' ' ARG . 2.6 tpt -46.36 -68.27 0.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 75.319999999999993 110.973 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 69' ' ' GLU . 2.0 tp10 -43.42 -57.85 2.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.085 . . . . 74.209999999999994 110.27 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.502 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 2.5 t80 -48.39 -42.84 33.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 73.530000000000001 111.025 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 64.3 mt -65.32 -28.21 69.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 71.439999999999998 109.31 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 66' ' ' GLU . 23.8 tt0 -78.52 -35.93 45.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 72.120000000000005 110.248 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -164.52 82.5 1.27 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 64.519999999999996 109.333 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.502 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.1 Cg_endo -74.97 -10.64 21.35 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.456 1.766 . . . . 74.420000000000002 110.981 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.08 -47.69 19.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 72.430000000000007 109.299 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.4 ttmt -65.63 -44.46 86.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 74.439999999999998 109.25 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.486 ' OH ' ' CD1' ' A' ' 57' ' ' ILE . 1.6 t80 -48.17 -51.37 25.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 73.430000000000007 110.947 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.499 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 5.8 mt -135.65 90.33 20.01 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.451 1.094 . . . . 74.530000000000001 109.369 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 98.69 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.518 1.799 . . . . 75.430000000000007 111.036 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 133.82 -16.54 4.49 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.543 1.152 . . . . 64.010000000000005 110.945 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.2 t -44.08 164.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 0.802 . . . . 74.510000000000005 110.445 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? -93.99 17.26 12.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 71.340000000000003 109.255 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.436 ' CE ' ' OH ' ' A' ' 67' ' ' TYR . 11.2 tpp -76.06 144.81 40.55 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.585 1.178 . . . . 75.049999999999997 110.91 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.3 mt -118.33 74.5 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 73.129999999999995 109.317 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -155.35 173.95 15.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 74.409999999999997 110.971 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.2 m -118.64 -45.72 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 72.200000000000003 109.231 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 138.67 162.65 9.25 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 73.519999999999996 111.002 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.8 mt -103.81 152.11 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.411 0.712 . . . . 73.430000000000007 109.284 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.6 tptp -95.07 -75.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 74.439999999999998 109.316 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -40.56 141.55 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 74.420000000000002 109.352 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -78.04 -42.64 31.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 73.519999999999996 109.338 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -55.95 -60.79 2.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 73.439999999999998 110.308 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.65 -38.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 64.239999999999995 110.25 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.425 ' HB3' ' CE ' ' A' ' 65' ' ' MET . 52.6 mtm180 -74.05 -54.9 6.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 75.239999999999995 110.312 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -48.8 -58.76 4.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 64.010000000000005 109.276 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 96' ' ' ALA . 71.9 m-20 -50.59 -56.77 10.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 75.329999999999998 109.293 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.4 tp -48.85 -34.79 13.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 75.239999999999995 109.284 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 43.2 mt -75.67 -34.88 29.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 73.239999999999995 109.314 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -57.34 -24.6 56.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 72.299999999999997 109.395 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.571 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 1.2 t80 -97.96 -37.97 9.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 74.519999999999996 111.028 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 15.3 mt -72.22 -15.23 61.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 73.239999999999995 109.352 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 66.2 tttt -96.04 -22.32 17.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.593 1.183 . . . . 74.099999999999994 109.222 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.431 ' CE ' HG13 ' A' ' 3' ' ' VAL . 18.5 ttpp -98.02 -18.81 18.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 72.120000000000005 109.268 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.479 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -79.71 -29.14 40.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 75.140000000000001 109.315 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.494 ' CA ' ' O ' ' A' ' 33' ' ' HIS . 46.2 p -104.04 33.1 3.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.404 1.065 . . . . 73.420000000000002 110.45 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -124.07 -50.67 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 74.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 74.299999999999997 110.342 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.012 -0.835 . . . . 61.299999999999997 111.012 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -50.76 169.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 74.519999999999996 109.326 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -117.28 -52.12 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 75.340000000000003 109.262 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -40.56 -44.97 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 73.120000000000005 110.289 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.49 ' O ' ' CD1' ' A' ' 9' ' ' ILE . 2.7 mmmp? -55.77 -47.05 77.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 75.510000000000005 109.297 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.479 ' O ' ' CB ' ' A' ' 10' ' ' PHE . . . -79.02 -12.65 83.88 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.524 1.14 . . . . 72.040000000000006 111.001 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.573 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 16.5 tptm -72.91 -72.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 75.299999999999997 109.284 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -52.36 -36.05 52.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 65.219999999999999 109.304 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 5' ' ' LYS . 96.7 mt -66.91 -43.61 89.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 74.319999999999993 109.312 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.64 ' CE1' ' CD2' ' A' ' 98' ' ' LEU . 29.9 t80 -66.95 -27.51 67.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 73.319999999999993 110.997 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.462 ' CG2' ' HB2' ' A' ' 15' ' ' SER . 48.2 mt -82.83 -70.24 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 74.439999999999998 109.328 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.4 mmt -42.19 -27.08 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 74.120000000000005 110.994 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -101.69 -37.38 8.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 74.310000000000002 109.294 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -133.03 82.95 2.02 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.156 . . . . 71.230000000000004 108.284 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.462 ' HB2' ' CG2' ' A' ' 11' ' ' ILE . 42.8 t -123.32 150.26 43.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 63.310000000000002 110.035 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 41.47 36.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 73.530000000000001 110.325 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.87 -61.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 75.409999999999997 108.3 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -88.21 -178.34 5.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 64.329999999999998 109.618 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 p -146.53 143.39 28.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.153 . . . . 73.310000000000002 110.331 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.0 m -124.61 -44.48 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 75.129999999999995 109.373 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 64.120000000000005 110.29 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.1 pttm . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.276 -0.638 . . . . 71.510000000000005 109.276 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -94.11 79.22 4.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 74.519999999999996 109.55 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.41 ' C ' ' N ' ' A' ' 29' ' ' GLY . 16.5 mtpt -53.93 -174.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 74.230000000000004 109.285 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.7 m -39.33 -30.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 72.129999999999995 110.427 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.41 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . -120.28 157.35 15.74 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.517 1.135 . . . . 73.329999999999998 110.965 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 151.78 39.86 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.497 1.788 . . . . 64.109999999999999 111.002 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -71.83 136.64 47.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 72.230000000000004 109.281 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 35' ' ' LEU . 1.0 OUTLIER -77.7 -13.64 59.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 75.230000000000004 109.301 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 32' ' ' LEU . 6.8 t-80 -39.98 -37.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 64.430000000000007 109.649 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -100.83 47.92 1.19 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 75.209999999999994 110.997 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.472 HD21 ' CE1' ' A' ' 36' ' ' PHE . 14.2 tp -95.33 -75.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 0.736 . . . . 74.120000000000005 109.295 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.545 ' CE1' ' HG3' ' A' ' 99' ' ' LYS . 68.8 m-85 -68.38 118.96 12.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 72.530000000000001 111.008 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.13 16.8 36.79 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.482 1.113 . . . . 54.109999999999999 111.051 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.1 ttm-85 -139.54 159.0 43.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 0.749 . . . . 74.230000000000004 110.299 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -96.73 -174.23 2.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 73.120000000000005 109.26 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.0 p -88.29 132.32 34.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 75.439999999999998 110.345 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.95 48.26 12.01 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.388 1.055 . . . . 62.5 111.014 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 43' ' ' ALA . 79.6 mm-40 -110.34 -35.61 6.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 0.756 . . . . 74.219999999999999 110.304 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.508 ' HB2' ' CZ ' ' A' ' 48' ' ' TYR . . . -39.57 99.9 0.2 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 73.209999999999994 109.203 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.4 Cg_endo -74.98 -7.0 18.78 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.495 1.787 . . . . 71.209999999999994 111.011 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -94.65 -4.97 61.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 63.409999999999997 110.947 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -168.24 111.34 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 73.200000000000003 110.987 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.8 p -79.63 121.52 25.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 74.420000000000002 109.986 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.508 ' CZ ' ' HB2' ' A' ' 43' ' ' ALA . 5.5 m-30 -74.18 -175.02 2.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 74.5 110.976 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.463 ' CG2' ' NZ ' ' A' ' 79' ' ' LYS . 7.0 p -70.56 175.57 4.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 75.150000000000006 110.383 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.16 -16.09 57.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 65.450000000000003 109.365 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.03 -27.74 57.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 73.129999999999995 109.315 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 55' ' ' LYS . 2.1 t30 -98.22 -47.73 5.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 72.120000000000005 109.322 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -44.1 -30.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 75.030000000000001 109.341 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -71.39 -49.87 37.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 73.209999999999994 109.316 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.3 OUTLIER -47.56 138.54 7.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.401 1.063 . . . . 71.129999999999995 109.267 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -141.5 73.68 0.37 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.53 1.144 . . . . 74.099999999999994 111.022 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.3 pp -142.02 159.77 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.753 . . . . 74.010000000000005 109.248 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.6 mm -85.79 152.96 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 74.329999999999998 109.28 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.426 ' CG ' HD13 ' A' ' 35' ' ' LEU . 38.6 m95 -96.67 96.68 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.972 -1.121 . . . . 75.239999999999995 107.972 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -108.35 -172.34 21.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 64.519999999999996 111.044 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.486 ' O ' ' CG ' ' A' ' 65' ' ' MET . 29.7 mt-10 -82.42 -15.3 53.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.777 . . . . 71.140000000000001 110.336 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -89.39 -42.52 11.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 64.109999999999999 109.35 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.0 p -73.76 -30.29 62.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 73.219999999999999 110.402 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.8 mt -79.83 -17.97 51.97 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.587 1.179 . . . . 75.519999999999996 109.303 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.486 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 2.9 mmt -77.11 -27.43 54.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 75.319999999999993 111.029 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -96.15 -34.71 11.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 74.209999999999994 110.293 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 4.0 t80 -66.14 -35.51 80.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 73.530000000000001 111.036 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.541 ' CD1' ' CD1' ' A' ' 95' ' ' ILE . 7.8 mt -67.5 -29.89 69.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 71.439999999999998 109.221 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -66.69 -40.44 88.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 72.120000000000005 110.318 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -163.95 79.62 1.5 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 64.519999999999996 109.348 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.01 -11.04 21.45 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.502 1.791 . . . . 74.420000000000002 110.997 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.439 ' HA ' ' CE ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER -67.89 -15.87 63.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 72.430000000000007 109.341 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.95 -53.67 2.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 74.439999999999998 109.29 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.409 ' CD2' ' HB2' ' A' ' 67' ' ' TYR . 1.8 t80 -42.08 -32.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 73.430000000000007 111.035 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.3 mm -134.98 89.93 23.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 74.530000000000001 109.284 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 104.55 1.92 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.443 1.76 . . . . 75.430000000000007 110.957 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.02 43.46 1.64 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.551 1.157 . . . . 64.010000000000005 111.023 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.3 t -102.67 157.25 17.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 74.510000000000005 110.388 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.463 ' NZ ' ' CG2' ' A' ' 49' ' ' THR . 27.8 mttm -77.67 -16.5 58.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.417 1.073 . . . . 71.340000000000003 109.312 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 45.0 mmm -42.87 148.33 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 75.049999999999997 111.049 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.6 mm -132.59 52.89 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 73.129999999999995 109.325 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -109.99 177.84 4.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.12 . . . . 74.409999999999997 110.985 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.2 m -123.43 -45.17 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 72.200000000000003 109.259 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 131.57 162.69 10.6 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.498 1.124 . . . . 73.519999999999996 110.994 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 82.4 mt -116.31 144.07 24.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.554 0.796 . . . . 73.430000000000007 109.316 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -92.79 -38.56 11.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 74.439999999999998 109.358 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -73.75 126.64 30.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 74.420000000000002 109.338 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -75.54 -37.26 60.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 73.519999999999996 109.238 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -60.06 -52.66 64.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 73.439999999999998 110.319 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -48.78 -37.37 18.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 64.239999999999995 110.293 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.461 ' HB3' ' CE ' ' A' ' 65' ' ' MET . 58.3 mtm180 -71.53 -39.58 70.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 75.239999999999995 110.328 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.14 -63.23 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.577 1.173 . . . . 64.010000000000005 109.345 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.68 -40.27 59.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 75.329999999999998 109.334 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.44 ' CD2' ' HB2' ' A' ' 10' ' ' PHE . 2.2 tm? -55.24 -59.64 4.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 75.239999999999995 109.321 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.541 ' CD1' ' CD1' ' A' ' 68' ' ' LEU . 16.6 mt -67.33 -15.84 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 73.239999999999995 109.302 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.42 -36.98 68.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 72.299999999999997 109.278 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.573 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 2.1 t80 -89.13 -48.13 7.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 74.519999999999996 111.006 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.64 ' CD2' ' CE1' ' A' ' 10' ' ' PHE . 15.1 mt -54.0 -23.75 14.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 73.239999999999995 109.281 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.545 ' HG3' ' CE1' ' A' ' 36' ' ' PHE . 56.2 tttm -82.23 -52.55 6.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 74.099999999999994 109.297 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -63.44 -18.23 63.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.425 1.078 . . . . 72.120000000000005 109.255 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -85.94 -29.59 23.46 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.537 1.148 . . . . 75.140000000000001 109.234 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 70.5 p -109.88 19.51 19.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 73.420000000000002 110.354 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -108.69 -31.72 7.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 74.0 109.353 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 74.299999999999997 110.242 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.028 -0.829 . . . . 61.299999999999997 111.028 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.62 162.96 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 0.749 . . . . 74.519999999999996 109.27 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.544 HG21 ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -111.28 -41.42 4.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 75.340000000000003 109.309 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -49.87 -52.98 28.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 73.120000000000005 110.319 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -53.62 -23.65 11.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 75.510000000000005 109.318 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.17 -21.71 19.48 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.475 1.109 . . . . 72.040000000000006 110.917 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.562 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 18.1 ttpp -74.68 -22.1 59.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 75.299999999999997 109.322 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -86.98 -43.59 12.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 65.219999999999999 109.391 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.432 HD11 ' CG ' ' A' ' 90' ' ' GLU . 46.3 mt -73.49 -10.32 13.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 74.319999999999993 109.342 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.429 ' O ' ' CA ' ' A' ' 14' ' ' CYS . 11.5 t80 -87.49 -26.46 23.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 73.319999999999993 111.07 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.499 ' O ' ' CB ' ' A' ' 15' ' ' SER . 82.1 mt -84.05 -70.14 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 74.439999999999998 109.333 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.5 mtp -37.94 -30.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 74.120000000000005 110.989 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 11' ' ' ILE . 2.6 mttp -102.64 -62.22 1.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 74.310000000000002 109.271 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.429 ' CA ' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -98.22 65.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.589 1.181 . . . . 71.230000000000004 108.32 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.4 p -102.69 132.77 48.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 63.310000000000002 110.063 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 39.95 36.42 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 73.530000000000001 110.201 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.82 -47.03 1.39 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 75.409999999999997 108.292 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -106.79 175.12 5.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 64.329999999999998 109.571 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.6 p -146.98 144.57 29.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 73.310000000000002 110.417 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.8 m -126.37 -44.93 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 75.129999999999995 109.3 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 64.120000000000005 110.309 179.954 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.291 -0.633 . . . . 71.510000000000005 109.291 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -81.67 133.8 35.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 74.519999999999996 109.625 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 mtmm -131.55 -103.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 74.230000000000004 109.284 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.7 m -72.3 -40.63 67.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.565 1.166 . . . . 72.129999999999995 110.449 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -127.83 165.07 21.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.587 1.179 . . . . 73.329999999999998 110.997 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 149.67 37.23 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.504 1.791 . . . . 64.109999999999999 111.017 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -72.49 147.45 46.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 72.230000000000004 109.278 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -116.29 93.88 4.41 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.556 1.16 . . . . 75.230000000000004 109.354 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -106.98 -46.11 4.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 64.430000000000007 109.573 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -102.06 25.57 27.35 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.41 1.069 . . . . 75.209999999999994 111.054 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.5 tp -40.45 -62.28 0.79 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.473 0.749 . . . . 74.120000000000005 109.345 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.649 ' CZ ' ' CB ' ' A' ' 99' ' ' LYS . 13.2 m-85 -79.5 94.38 5.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.069 . . . . 72.530000000000001 110.946 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.17 30.99 2.14 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.458 1.099 . . . . 54.109999999999999 110.969 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.445 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 33.9 ttp180 -144.67 162.65 36.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 0.791 . . . . 74.230000000000004 110.292 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.455 ' HD3' ' CD1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -94.83 -178.28 4.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 73.120000000000005 109.263 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.4 p -90.34 141.68 28.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 75.439999999999998 110.388 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.556 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 64.4 66.71 2.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.485 1.116 . . . . 62.5 110.952 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 43' ' ' ALA . 84.6 mm-40 -115.95 -36.12 4.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 74.219999999999999 110.294 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.453 ' CB ' ' OH ' ' A' ' 48' ' ' TYR . . . -39.51 99.91 0.2 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 73.209999999999994 109.307 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.6 Cg_endo -74.96 -0.41 9.92 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.463 1.77 . . . . 71.209999999999994 111.029 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.68 -6.11 35.57 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 63.409999999999997 110.992 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.494 ' O ' ' CE1' ' A' ' 48' ' ' TYR . 18.8 t80 -159.35 112.81 2.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 0.798 . . . . 73.200000000000003 110.987 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.8 p -90.28 139.69 30.41 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.466 1.104 . . . . 74.420000000000002 109.99 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.62 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -99.71 -175.14 2.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 74.5 111.038 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.7 p -55.3 176.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 75.150000000000006 110.394 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.68 12.58 14.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 65.450000000000003 109.336 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.67 -45.35 6.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 73.129999999999995 109.287 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.41 ' O ' ' N ' ' A' ' 55' ' ' LYS . 7.4 t30 -83.79 -47.19 11.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 72.120000000000005 109.288 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -46.44 -35.54 5.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 75.030000000000001 109.296 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -75.62 -39.55 57.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 73.209999999999994 109.331 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 52' ' ' ASN . 9.9 tptt -45.88 140.22 3.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 71.129999999999995 109.303 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.38 77.01 0.33 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.574 1.171 . . . . 74.099999999999994 111.016 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.4 pp -143.32 151.0 17.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 0.76 . . . . 74.010000000000005 109.321 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.455 ' CD1' ' HD3' ' A' ' 39' ' ' LYS . 2.3 mm -84.82 131.66 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.152 . . . . 74.329999999999998 109.224 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -77.08 153.9 33.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.546 1.154 . . . . 75.239999999999995 108.018 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.522 ' N ' ' HG1' ' A' ' 63' ' ' THR . . . -173.67 -148.75 6.58 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.44 1.088 . . . . 64.519999999999996 111.017 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 65' ' ' MET . 30.0 mt-10 -87.51 -58.18 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 0.783 . . . . 71.140000000000001 110.323 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -58.88 -45.4 90.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 64.109999999999999 109.275 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.522 ' HG1' ' N ' ' A' ' 60' ' ' GLY . 13.7 p -60.51 -27.87 67.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 73.219999999999999 110.419 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.408 ' CD1' ' O ' ' A' ' 60' ' ' GLY . 77.6 mt -92.85 -19.23 21.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 75.519999999999996 109.325 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 61' ' ' GLU . 2.4 tpt -68.43 -37.89 80.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 75.319999999999993 110.968 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -84.49 -38.54 19.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 74.209999999999994 110.273 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.531 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 8.0 t80 -60.06 -47.08 87.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 73.530000000000001 110.995 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 13.0 mt -56.52 -41.52 76.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 71.439999999999998 109.294 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -59.16 -43.1 92.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 72.120000000000005 110.315 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -163.63 88.64 1.2 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 64.519999999999996 109.305 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.531 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.7 Cg_endo -75.01 -7.25 18.98 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.506 1.793 . . . . 74.420000000000002 111.033 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -74.68 -47.85 29.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.086 . . . . 72.430000000000007 109.339 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -43.16 98.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 74.439999999999998 109.302 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -56.67 -52.29 65.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 73.430000000000007 111.056 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.7 mt -133.6 88.7 33.15 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 74.530000000000001 109.306 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 110.33 3.1 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.5 1.79 . . . . 75.430000000000007 111.004 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.55 -0.22 13.96 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.501 1.125 . . . . 64.010000000000005 111.025 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 t -61.08 166.41 3.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.788 . . . . 74.510000000000005 110.474 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.7 mtmm -95.69 15.75 19.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 71.340000000000003 109.282 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.5 tpp -76.53 94.68 3.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 75.049999999999997 111.051 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.429 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.6 mp -58.8 -17.71 11.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 73.129999999999995 109.314 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -53.54 169.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 74.409999999999997 110.971 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.6 m -120.18 -48.5 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 72.200000000000003 109.345 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.29 -179.07 19.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.527 1.142 . . . . 73.519999999999996 110.994 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 8.0 mt -119.68 157.8 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 73.430000000000007 109.328 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.93 -34.64 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 74.439999999999998 109.27 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.418 ' CB ' ' OE1' ' A' ' 90' ' ' GLU . 15.4 mmmt -84.12 111.44 19.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 74.420000000000002 109.319 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -17.24 64.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 73.519999999999996 109.297 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -79.52 -13.57 59.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 73.439999999999998 110.278 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.432 ' CG ' HD11 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -99.95 -11.29 20.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 64.239999999999995 110.264 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.8 mtm-85 -90.66 -32.48 16.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 75.239999999999995 110.29 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.404 ' N ' ' HE2' ' A' ' 65' ' ' MET . . . -76.64 -16.74 59.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 64.010000000000005 109.283 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -93.54 -48.16 6.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 75.329999999999998 109.292 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 48.7 tp -55.78 -34.12 64.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 75.239999999999995 109.292 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 80.7 mt -79.93 -40.13 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 73.239999999999995 109.281 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -55.57 -20.65 14.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 72.299999999999997 109.289 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.562 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -92.87 -58.46 2.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 74.519999999999996 111.013 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.5 mt -51.09 -30.74 16.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 73.239999999999995 109.289 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.649 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 11.9 pttp -69.13 -34.21 74.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.593 1.183 . . . . 74.099999999999994 109.368 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -89.08 -16.47 31.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 72.120000000000005 109.355 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.483 ' HB1' ' CE1' ' A' ' 97' ' ' TYR . . . -81.39 -40.12 23.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 75.140000000000001 109.347 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 68.2 p -81.63 -29.92 33.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 73.420000000000002 110.374 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -53.22 -55.33 25.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 74.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 74.299999999999997 110.333 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.021 -0.832 . . . . 61.299999999999997 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -64.03 167.77 6.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 74.519999999999996 109.29 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -113.08 -51.34 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 75.340000000000003 109.312 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -41.42 -48.27 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 73.120000000000005 110.283 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -52.5 -43.72 65.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 75.510000000000005 109.331 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -81.77 -17.15 71.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.541 1.151 . . . . 72.040000000000006 110.959 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.572 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -80.9 -27.2 36.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 0.753 . . . . 75.299999999999997 109.266 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -85.76 -19.76 30.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 65.219999999999999 109.285 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.8 mt -95.34 -16.25 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 74.319999999999993 109.318 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.623 ' CE1' ' CG1' ' A' ' 20' ' ' VAL . 12.5 t80 -81.75 -28.2 33.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 73.319999999999993 111.013 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.497 ' O ' ' CB ' ' A' ' 15' ' ' SER . 74.6 mt -82.13 -75.07 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 74.439999999999998 109.289 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.94 -30.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 74.120000000000005 110.974 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' ILE . 9.4 mtpt -99.34 -66.96 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 74.310000000000002 109.282 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' CA ' ' O ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -92.18 62.28 4.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 71.230000000000004 108.213 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 0.5 OUTLIER -98.32 149.08 23.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.113 . . . . 63.310000000000002 110.029 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 38.99 34.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 73.530000000000001 110.332 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.4 m -137.84 -51.84 0.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 75.409999999999997 108.252 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -116.24 147.46 41.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.412 1.07 . . . . 64.329999999999998 109.544 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.498 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 4.5 p -112.26 -29.66 7.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 73.310000000000002 110.418 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.623 ' CG1' ' CE1' ' A' ' 10' ' ' PHE . 9.2 m 49.22 26.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 75.129999999999995 109.291 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 64.120000000000005 110.306 179.96 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.415 ' HB3' ' NZ ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.277 -0.638 . . . . 71.510000000000005 109.277 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.4 ' CD2' ' N ' ' A' ' 26' ' ' HIS . 3.6 m-70 -90.72 128.61 36.72 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.478 1.111 . . . . 74.519999999999996 109.621 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -125.38 -98.96 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.163 . . . . 74.230000000000004 109.296 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m -72.55 -28.59 62.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 72.129999999999995 110.405 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -143.35 -173.3 14.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.13 . . . . 73.329999999999998 111.038 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 151.16 39.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.52 1.8 . . . . 64.109999999999999 111.005 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -68.51 129.4 39.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 72.230000000000004 109.285 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.1 mp -86.84 78.4 9.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 75.230000000000004 109.326 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -114.32 -54.36 2.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 64.430000000000007 109.641 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.412 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -102.04 22.56 37.64 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.498 1.124 . . . . 75.209999999999994 111.067 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.4 ' HG ' ' N ' ' A' ' 36' ' ' PHE . 6.8 tp -42.11 -74.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 74.120000000000005 109.292 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.4 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 32.8 m-85 -62.96 111.05 1.99 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 72.530000000000001 110.978 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.96 38.39 4.64 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.519 1.137 . . . . 54.109999999999999 111.007 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.412 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 22.1 ttp180 -151.25 107.1 3.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.461 0.742 . . . . 74.230000000000004 110.336 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.99 167.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 73.120000000000005 109.309 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.1 p -77.11 151.78 35.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 75.439999999999998 110.409 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 52.58 57.83 12.89 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.559 1.162 . . . . 62.5 111.025 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 43' ' ' ALA . 38.8 mm-40 -111.49 -42.82 3.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 74.219999999999999 110.337 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.51 99.87 0.2 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 73.209999999999994 109.3 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -75.0 -6.76 18.46 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.484 1.781 . . . . 71.209999999999994 111.003 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -94.24 -30.15 8.98 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.441 1.088 . . . . 63.409999999999997 110.967 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.403 ' O ' ' CE1' ' A' ' 48' ' ' TYR . 23.1 t80 -140.09 108.8 5.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 0.744 . . . . 73.200000000000003 111.009 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.4 p -78.28 145.87 35.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 74.420000000000002 110.011 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.527 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 2.2 m-30 -97.7 -173.66 2.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 74.5 111.031 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.459 ' CG2' ' HG2' ' A' ' 79' ' ' LYS . 3.1 p -50.93 175.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 75.150000000000006 110.382 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.73 -15.58 32.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.579 1.174 . . . . 65.450000000000003 109.261 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.78 -30.1 18.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 73.129999999999995 109.255 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 55' ' ' LYS . 1.9 t30 -78.74 -50.91 10.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 72.120000000000005 109.319 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -44.42 -41.56 6.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 75.030000000000001 109.339 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -55.77 -45.97 78.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 73.209999999999994 109.328 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 52' ' ' ASN . 11.6 tptt -47.88 142.19 5.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 71.129999999999995 109.31 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.31 80.38 0.25 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.545 1.153 . . . . 74.099999999999994 110.983 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.8 pp -145.37 169.69 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 0.782 . . . . 74.010000000000005 109.28 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.9 mm -105.5 138.55 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 74.329999999999998 109.285 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -78.16 155.54 30.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 75.239999999999995 107.979 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -170.46 -158.73 14.87 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.541 1.15 . . . . 64.519999999999996 110.967 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -82.02 -37.8 25.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.76 . . . . 71.140000000000001 110.353 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -75.6 -59.71 2.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 64.109999999999999 109.285 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 72.5 p -47.74 -26.01 1.43 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 73.219999999999999 110.321 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.8 mt -87.26 -38.97 15.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 75.519999999999996 109.342 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.461 ' HE3' ' CD1' ' A' ' 95' ' ' ILE . 3.1 mmt -57.82 -15.83 9.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 75.319999999999993 110.934 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -107.98 -41.68 4.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 74.209999999999994 110.325 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 14.1 t80 -62.2 -54.38 41.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 73.530000000000001 110.999 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.5 mt -58.42 -27.87 64.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 71.439999999999998 109.307 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -69.75 -32.28 70.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 72.120000000000005 110.249 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 42.4 m-20 -171.31 81.51 0.51 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 64.519999999999996 109.26 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.567 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.04 0.09 9.34 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.497 1.788 . . . . 74.420000000000002 111.013 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.51 -16.36 30.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 72.430000000000007 109.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -102.66 -25.43 13.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 74.439999999999998 109.313 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -73.25 -48.88 31.16 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.459 1.099 . . . . 73.430000000000007 110.945 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.1 mt -128.96 86.81 56.35 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 74.530000000000001 109.342 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 105.06 2.01 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 75.430000000000007 111.024 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 131.91 -10.69 5.42 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.42 1.075 . . . . 64.010000000000005 111.018 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.0 t -65.39 179.34 0.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 0.779 . . . . 74.510000000000005 110.378 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.459 ' HG2' ' CG2' ' A' ' 49' ' ' THR . 1.6 pttt -121.66 26.89 8.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 71.340000000000003 109.314 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.9 tpp -72.31 73.44 0.97 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.503 1.127 . . . . 75.049999999999997 110.982 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.443 ' CG2' ' O ' ' A' ' 81' ' ' ILE . 13.6 mt -66.11 81.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 73.129999999999995 109.331 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.517 ' CZ ' ' O ' ' A' ' 83' ' ' VAL . 10.1 t80 -148.78 145.68 27.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 74.409999999999997 111.054 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.517 ' O ' ' CZ ' ' A' ' 82' ' ' PHE . 21.4 m -81.23 148.2 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.572 1.17 . . . . 72.200000000000003 109.342 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -79.08 160.08 46.01 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.498 1.124 . . . . 73.519999999999996 110.95 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.1 mt -107.75 155.55 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 73.430000000000007 109.317 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -113.73 -40.36 3.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 74.439999999999998 109.243 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -70.84 148.76 47.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 74.420000000000002 109.324 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.1 mmtm -90.71 -44.41 9.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 73.519999999999996 109.236 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -55.15 -46.32 75.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.6 1.188 . . . . 73.439999999999998 110.233 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.09 -30.26 61.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 64.239999999999995 110.358 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 49.0 mtm-85 -83.38 -30.09 27.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 75.239999999999995 110.282 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.41 -54.25 31.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 64.010000000000005 109.38 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 96' ' ' ALA . 0.9 OUTLIER -59.15 -56.02 27.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.627 1.204 . . . . 75.329999999999998 109.335 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.453 HD13 ' CD1' ' A' ' 98' ' ' LEU . 2.5 tm? -50.41 -28.47 8.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 75.239999999999995 109.353 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.461 ' CD1' ' HE3' ' A' ' 65' ' ' MET . 55.3 mt -86.86 -29.05 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.591 1.182 . . . . 73.239999999999995 109.348 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -68.86 -27.33 65.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 72.299999999999997 109.301 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.572 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 0.8 OUTLIER -95.21 -29.18 14.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.152 . . . . 74.519999999999996 111.005 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.453 ' CD1' HD13 ' A' ' 94' ' ' LEU . 10.9 mt -73.64 -42.52 61.3 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 73.239999999999995 109.275 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -72.96 -16.24 61.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 74.099999999999994 109.284 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -102.48 -15.76 16.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 72.120000000000005 109.246 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.44 -40.36 23.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 75.140000000000001 109.286 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.8 p -92.15 20.96 5.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.417 1.073 . . . . 73.420000000000002 110.415 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -127.42 -51.41 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 74.0 109.327 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 74.299999999999997 110.302 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.016 -0.834 . . . . 61.299999999999997 111.016 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -41.83 153.53 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 0.764 . . . . 74.519999999999996 109.346 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.447 ' CG1' ' HA ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -112.23 -50.1 5.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 75.340000000000003 109.204 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 3' ' ' VAL . 29.1 mt-10 -38.41 -54.48 1.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 73.120000000000005 110.321 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.6 mmtp -47.12 -46.79 23.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 75.510000000000005 109.304 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.446 ' O ' ' CB ' ' A' ' 10' ' ' PHE . . . -74.91 -23.34 75.02 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 72.040000000000006 110.979 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.569 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 2.1 tppp? -71.84 -36.8 70.29 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.531 0.783 . . . . 75.299999999999997 109.311 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -79.93 -40.35 28.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 65.219999999999999 109.322 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.444 HG23 ' CE ' ' A' ' 13' ' ' LYS . 23.2 mt -69.02 -30.93 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 74.319999999999993 109.302 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.551 ' CE1' HG12 ' A' ' 20' ' ' VAL . 21.7 t80 -70.33 -17.04 63.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 73.319999999999993 111.032 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.449 ' O ' ' CB ' ' A' ' 15' ' ' SER . 56.8 mt -84.59 -58.96 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 74.439999999999998 109.277 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.4 mtt -63.99 -12.26 36.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 74.120000000000005 110.881 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.444 ' CE ' HG23 ' A' ' 9' ' ' ILE . 38.3 mttm -112.42 -34.1 5.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 74.310000000000002 109.284 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.496 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -134.39 78.12 1.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 71.230000000000004 108.375 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -115.06 147.64 39.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 63.310000000000002 110.036 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 39.22 38.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 73.530000000000001 110.345 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.3 m -137.04 -70.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 75.409999999999997 108.298 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.523 ' CE1' HD23 ' A' ' 32' ' ' LEU . 83.1 m-70 -91.42 159.54 15.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 64.329999999999998 109.629 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.489 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 6.6 p -113.11 -28.34 7.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 73.310000000000002 110.37 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.551 HG12 ' CE1' ' A' ' 10' ' ' PHE . 28.6 m 46.05 26.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.544 1.153 . . . . 75.129999999999995 109.359 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 19' ' ' THR . 5.3 mt-10 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 64.120000000000005 110.277 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.341 -0.614 . . . . 71.510000000000005 109.341 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -76.62 119.94 21.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.446 1.091 . . . . 74.519999999999996 109.649 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.417 ' NZ ' HG21 ' A' ' 19' ' ' THR . 4.2 mtmm -107.79 -95.88 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 74.230000000000004 109.325 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.8 m -80.82 -31.27 35.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 72.129999999999995 110.413 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.89 -160.04 8.19 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.515 1.134 . . . . 73.329999999999998 111.032 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.487 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 18.5 Cg_endo -74.95 150.37 38.29 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.533 1.807 . . . . 64.109999999999999 111.031 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.406 ' ND2' ' HG1' ' A' ' 19' ' ' THR . 7.8 t-20 -72.34 131.46 42.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 72.230000000000004 109.349 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.523 HD23 ' CE1' ' A' ' 18' ' ' HIS . 1.9 mm? -87.39 81.01 7.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 75.230000000000004 109.246 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -119.36 -56.22 2.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 64.430000000000007 109.617 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.16 58.53 0.6 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.119 . . . . 75.209999999999994 110.972 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.1 tp -75.5 -74.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 74.120000000000005 109.238 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 99' ' ' LYS . 24.5 m-85 -67.86 120.72 14.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 72.530000000000001 111.03 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.48 30.27 8.75 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 54.109999999999999 110.969 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.3 ttp180 -148.72 158.31 44.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 0.766 . . . . 74.230000000000004 110.328 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.437 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 13.0 mtmt -90.16 -179.49 5.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 73.120000000000005 109.34 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.3 p -87.18 133.18 33.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 75.439999999999998 110.451 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.526 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 71.01 54.22 9.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.557 1.16 . . . . 62.5 110.976 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 43' ' ' ALA . 66.7 mm-40 -107.99 -23.41 12.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 0.709 . . . . 74.219999999999999 110.312 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.441 ' CB ' ' OH ' ' A' ' 48' ' ' TYR . . . -39.54 99.93 0.2 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 73.209999999999994 109.361 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.0 Cg_endo -75.01 58.06 4.78 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 71.209999999999994 110.936 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -176.0 -37.99 0.05 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 63.409999999999997 111.092 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -119.32 123.46 44.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.778 . . . . 73.200000000000003 111.021 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.9 p -101.25 130.9 47.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 74.420000000000002 109.986 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.629 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -91.76 -175.53 4.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 74.5 111.075 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.408 ' CG2' ' HE2' ' A' ' 79' ' ' LYS . 8.1 p -58.67 179.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 75.150000000000006 110.42 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.64 12.97 15.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 65.450000000000003 109.345 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.58 -47.93 5.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 73.129999999999995 109.327 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.481 ' OD1' ' CD1' ' A' ' 75' ' ' ILE . 3.2 t30 -85.01 -47.16 10.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 72.120000000000005 109.291 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -46.42 -49.45 18.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 75.030000000000001 109.318 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -60.7 -31.51 70.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 73.209999999999994 109.333 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' ASN . 26.4 tptt -56.04 143.16 33.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 71.129999999999995 109.257 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.34 80.91 0.24 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 74.099999999999994 110.946 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.48 ' CD1' ' OH ' ' A' ' 74' ' ' TYR . 2.5 pp -145.36 170.51 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 0.737 . . . . 74.010000000000005 109.336 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.437 ' CD1' ' HG3' ' A' ' 39' ' ' LYS . 3.7 mm -106.7 137.32 37.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.109 . . . . 74.329999999999998 109.276 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 66.0 m95 -80.22 149.47 30.43 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.989 -1.115 . . . . 75.239999999999995 107.989 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.495 ' O ' ' CD1' ' A' ' 64' ' ' LEU . . . -176.59 -165.46 32.2 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.469 1.105 . . . . 64.519999999999996 110.992 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -74.34 -33.29 63.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.796 . . . . 71.140000000000001 110.372 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.61 -55.19 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 64.109999999999999 109.309 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.6 p -59.77 -49.0 79.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 73.219999999999999 110.413 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 60' ' ' GLY . 22.2 mt -57.52 -52.38 65.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 75.519999999999996 109.247 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.3 mmt -49.89 -21.87 1.31 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 1.164 . . . . 75.319999999999993 111.052 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -99.55 -30.64 12.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 74.209999999999994 110.299 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.453 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 3.5 t80 -73.88 -60.81 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 73.530000000000001 110.987 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.1 mp -44.19 -47.38 9.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.157 . . . . 71.439999999999998 109.321 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -52.0 -43.84 63.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 72.120000000000005 110.273 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -166.16 86.9 0.9 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 64.519999999999996 109.321 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.453 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.93 -0.27 9.73 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.503 1.791 . . . . 74.420000000000002 111.024 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -44.95 17.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 72.430000000000007 109.274 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -42.3 82.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 74.439999999999998 109.288 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.48 ' OH ' ' CD1' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -55.33 -58.46 7.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 73.430000000000007 110.964 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.481 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 3.6 mt -130.9 85.05 56.42 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 74.530000000000001 109.337 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.86 135.11 18.91 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.438 1.757 . . . . 75.430000000000007 111.082 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.13 6.9 58.75 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 64.010000000000005 111.082 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.5 t -72.8 168.11 19.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 0.758 . . . . 74.510000000000005 110.415 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.408 ' HE2' ' CG2' ' A' ' 49' ' ' THR . 23.8 mttm -80.99 -21.11 40.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.153 . . . . 71.340000000000003 109.238 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.5 tpp -43.01 138.34 2.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 75.049999999999997 110.978 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 22.7 mm -116.23 47.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 73.129999999999995 109.3 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.418 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 11.8 t80 -118.24 148.7 42.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 74.409999999999997 111.037 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.7 m -98.41 -32.03 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 72.200000000000003 109.273 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.418 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 124.32 -179.75 16.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.557 1.16 . . . . 73.519999999999996 111.025 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.4 mt -120.89 138.42 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.754 . . . . 73.430000000000007 109.295 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -94.51 -27.64 15.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 74.439999999999998 109.282 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 40.1 mttp -90.35 107.31 19.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 74.420000000000002 109.293 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.9 tttm -61.75 -33.45 74.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.086 . . . . 73.519999999999996 109.293 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -61.87 -33.65 74.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 73.439999999999998 110.22 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.27 -8.51 57.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 64.239999999999995 110.334 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.438 ' O ' ' CG1' ' A' ' 95' ' ' ILE . 47.7 mtt180 -89.28 -34.06 16.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 75.239999999999995 110.264 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 96' ' ' ALA . . . -67.3 -51.35 53.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 64.010000000000005 109.283 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.05 -45.36 95.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 75.329999999999998 109.316 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.44 HD12 ' CD1' ' A' ' 98' ' ' LEU . 1.9 tm? -64.22 -36.69 84.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 75.239999999999995 109.323 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.438 ' CG1' ' O ' ' A' ' 91' ' ' ARG . 68.3 mt -79.78 -16.25 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 73.239999999999995 109.338 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 92' ' ' ALA . . . -74.42 -40.01 62.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 72.299999999999997 109.245 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.569 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 1.2 t80 -86.1 -27.34 24.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 74.519999999999996 110.94 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.44 ' CD1' HD12 ' A' ' 94' ' ' LEU . 10.7 mt -73.97 -31.35 62.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 73.239999999999995 109.273 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 60.2 tttm -83.81 -14.5 51.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 74.099999999999994 109.335 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -107.09 -14.65 14.87 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 72.120000000000005 109.296 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.545 ' HB3' ' CE1' ' A' ' 97' ' ' TYR . . . -77.42 -48.57 16.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 75.140000000000001 109.303 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 31.0 p -88.72 17.83 5.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.411 1.07 . . . . 73.420000000000002 110.366 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -107.97 -40.72 5.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 74.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 74.299999999999997 110.341 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.972 -0.851 . . . . 61.299999999999997 110.972 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.42 153.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.741 . . . . 74.519999999999996 109.275 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -110.35 -39.72 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 75.340000000000003 109.283 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -51.84 -49.32 63.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.403 1.065 . . . . 73.120000000000005 110.314 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -20.63 43.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 75.510000000000005 109.231 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.19 -22.08 13.88 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.148 . . . . 72.040000000000006 110.986 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.572 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 23.9 tttm -76.71 -25.26 53.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.788 . . . . 75.299999999999997 109.357 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -82.61 -44.64 15.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.611 1.194 . . . . 65.219999999999999 109.251 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.447 ' CG2' ' CE ' ' A' ' 13' ' ' LYS . 22.4 mt -68.45 -37.48 77.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 74.319999999999993 109.34 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.528 ' CE1' HG13 ' A' ' 20' ' ' VAL . 17.3 t80 -59.46 -17.45 31.29 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.103 . . . . 73.319999999999993 111.005 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.472 ' O ' ' CB ' ' A' ' 15' ' ' SER . 17.5 mt -84.27 -60.46 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 74.439999999999998 109.295 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.7 mmm -64.48 -10.6 26.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 74.120000000000005 111.026 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.447 ' CE ' ' CG2' ' A' ' 9' ' ' ILE . 49.6 mttm -112.79 -36.16 5.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 74.310000000000002 109.355 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.487 ' HB2' ' CD1' ' A' ' 10' ' ' PHE . 1.4 m -133.14 75.7 1.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 71.230000000000004 108.292 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER -111.24 143.9 41.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 63.310000000000002 110.044 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 38.96 36.92 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 73.530000000000001 110.261 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 m -134.78 -48.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 75.409999999999997 108.251 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -115.63 129.0 56.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 64.329999999999998 109.609 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.5 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 25.5 p -83.05 -32.37 26.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 73.310000000000002 110.383 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.528 HG13 ' CE1' ' A' ' 10' ' ' PHE . 36.0 m 46.33 51.29 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 75.129999999999995 109.367 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 64.120000000000005 110.246 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.255 -0.646 . . . . 71.510000000000005 109.255 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -130.53 73.79 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 74.519999999999996 109.588 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' GLY . 24.9 mmmt -53.59 -173.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 74.230000000000004 109.291 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 m -38.84 -29.92 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.481 1.113 . . . . 72.129999999999995 110.375 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -115.9 164.43 12.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 73.329999999999998 111.073 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 148.72 35.4 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.532 1.806 . . . . 64.109999999999999 110.995 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -58.2 144.09 41.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 72.230000000000004 109.295 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.4 mt -124.68 83.06 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 75.230000000000004 109.335 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -103.24 -40.25 6.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 64.430000000000007 109.598 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.44 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -101.74 27.76 18.99 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.127 . . . . 75.209999999999994 111.012 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.5 tp -40.43 -68.55 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 74.120000000000005 109.326 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.547 ' CE2' ' HA ' ' A' ' 99' ' ' LYS . 29.6 m-85 -76.34 95.73 3.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.619 1.2 . . . . 72.530000000000001 110.952 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.22 32.25 1.7 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.584 1.177 . . . . 54.109999999999999 110.961 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.44 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 51.0 ttm-85 -145.28 138.41 26.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 74.230000000000004 110.318 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.457 ' HD3' ' CD1' ' A' ' 58' ' ' ILE . 2.7 mppt? -76.17 -175.24 3.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.455 1.097 . . . . 73.120000000000005 109.268 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.7 p -96.89 124.32 40.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 75.439999999999998 110.369 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.72 64.54 1.37 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.144 . . . . 62.5 110.961 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 44' ' ' PRO . 81.6 mm-40 -123.9 -41.8 2.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 0.794 . . . . 74.219999999999999 110.281 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.448 ' HB1' ' CE1' ' A' ' 48' ' ' TYR . . . -39.52 99.92 0.2 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.085 . . . . 73.209999999999994 109.282 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -75.01 -15.49 20.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.55 1.816 . . . . 71.209999999999994 110.968 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.71 -49.21 6.69 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.568 1.168 . . . . 63.409999999999997 111.005 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -133.55 91.81 2.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 73.200000000000003 111.0 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 64.1 p -64.8 144.42 57.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 74.420000000000002 109.975 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.598 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -87.89 -174.94 4.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 74.5 111.022 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.403 HG23 ' NZ ' ' A' ' 79' ' ' LYS . 60.0 p -55.81 175.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 75.150000000000006 110.364 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.434 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -84.9 -15.73 43.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 65.450000000000003 109.323 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.5 -27.82 34.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 73.129999999999995 109.32 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' LYS . 2.0 t30 -87.87 -52.9 5.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 72.120000000000005 109.305 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -41.87 -30.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 75.030000000000001 109.287 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -65.06 -51.89 58.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 73.209999999999994 109.292 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 52' ' ' ASN . 23.1 tptt -40.59 140.44 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 71.129999999999995 109.275 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.59 66.03 0.48 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.547 1.155 . . . . 74.099999999999994 111.027 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.8 pp -133.61 164.25 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 74.010000000000005 109.243 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.457 ' CD1' ' HD3' ' A' ' 39' ' ' LYS . 2.7 mm -92.58 138.67 19.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.466 1.104 . . . . 74.329999999999998 109.334 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -81.51 100.0 9.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.107 . . . . 75.239999999999995 108.03 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -114.91 -167.42 15.48 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.502 1.126 . . . . 64.519999999999996 111.03 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -75.67 -52.59 10.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 0.733 . . . . 71.140000000000001 110.373 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -53.86 -49.24 68.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 64.109999999999999 109.277 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 64.7 p -56.76 -65.83 0.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 73.219999999999999 110.37 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.5 mt -43.95 -42.35 5.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.577 1.173 . . . . 75.519999999999996 109.316 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.47 ' CE ' ' CB ' ' A' ' 91' ' ' ARG . 3.5 tpt -48.74 -56.84 7.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 75.319999999999993 110.94 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -70.45 -58.2 3.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 74.209999999999994 110.36 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -43.04 -31.91 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.065 . . . . 73.530000000000001 111.033 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.3 mt -70.79 -50.63 33.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 71.439999999999998 109.3 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -51.28 -32.15 23.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 72.120000000000005 110.359 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -168.01 88.57 0.69 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 64.519999999999996 109.334 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.28 1.24 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.533 1.807 . . . . 74.420000000000002 110.955 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.4 -50.65 51.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 72.430000000000007 109.287 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -60.93 -52.81 63.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 74.439999999999998 109.302 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -48.45 -28.94 3.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 73.430000000000007 111.016 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.1 mt -148.41 90.07 5.01 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 74.530000000000001 109.325 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 122.39 7.16 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.433 1.754 . . . . 75.430000000000007 110.988 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.34 3.15 38.3 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 64.010000000000005 110.987 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.4 t -70.77 160.74 32.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 74.510000000000005 110.337 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.403 ' NZ ' HG23 ' A' ' 49' ' ' THR . 5.0 mtmm -83.02 -39.98 20.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 71.340000000000003 109.269 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.3 ttt -45.06 129.51 7.57 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.487 1.117 . . . . 75.049999999999997 110.991 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mt -109.73 124.16 66.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 73.129999999999995 109.353 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -154.63 176.9 11.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 74.409999999999997 110.956 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.2 m -122.54 -45.72 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 72.200000000000003 109.319 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.11 139.41 5.34 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.577 1.173 . . . . 73.519999999999996 111.011 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 14.8 mt -92.34 145.04 8.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.503 0.766 . . . . 73.430000000000007 109.278 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.82 -63.58 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 74.439999999999998 109.254 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -57.11 110.91 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 74.420000000000002 109.333 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -22.15 66.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 73.519999999999996 109.313 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -64.71 -32.29 73.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 73.439999999999998 110.255 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -77.45 -31.71 54.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 64.239999999999995 110.265 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.47 ' CB ' ' CE ' ' A' ' 65' ' ' MET . 88.6 mtm-85 -74.37 -22.48 59.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 75.239999999999995 110.262 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.92 -45.8 23.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 64.010000000000005 109.285 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.73 -51.29 43.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 75.329999999999998 109.243 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 65.0 tp -47.23 -38.54 12.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 75.239999999999995 109.302 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 81.9 mt -78.17 -42.74 27.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 73.239999999999995 109.35 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.45 -22.22 4.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 72.299999999999997 109.28 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.572 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -93.19 -55.66 3.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 74.519999999999996 111.012 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.9 mt -53.67 -24.65 15.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 73.239999999999995 109.317 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.547 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 10.9 pttp -76.6 -32.83 58.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 74.099999999999994 109.323 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -90.96 -14.6 31.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 72.120000000000005 109.328 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -82.61 -48.24 11.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 75.140000000000001 109.297 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 41.7 p -81.71 4.47 21.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 73.420000000000002 110.398 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -104.13 -62.08 1.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 74.0 109.237 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 74.299999999999997 110.294 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.979 -0.848 . . . . 61.299999999999997 110.979 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -52.08 163.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 74.519999999999996 109.277 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -114.75 -52.02 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.108 . . . . 75.340000000000003 109.273 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -40.49 -50.91 2.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.622 1.201 . . . . 73.120000000000005 110.336 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -50.44 -44.03 55.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 75.510000000000005 109.258 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -79.37 -20.14 70.05 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.479 1.112 . . . . 72.040000000000006 111.044 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.574 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 15.8 ttpp -76.04 -21.12 57.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.401 0.707 . . . . 75.299999999999997 109.272 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -90.02 -29.55 18.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 65.219999999999999 109.286 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.438 HG21 ' CE ' ' A' ' 13' ' ' LYS . 18.7 mt -85.38 -19.28 8.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.163 . . . . 74.319999999999993 109.333 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.568 ' CE1' HG13 ' A' ' 20' ' ' VAL . 9.4 t80 -78.1 -25.32 47.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 73.319999999999993 111.073 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.497 ' O ' ' CB ' ' A' ' 15' ' ' SER . 56.8 mt -81.82 -74.4 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 74.439999999999998 109.253 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 34.2 mmm -38.38 -29.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.46 1.1 . . . . 74.120000000000005 111.037 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 11' ' ' ILE . 34.6 mttm -99.23 -65.63 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 74.310000000000002 109.32 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.473 ' HB2' ' CD1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -92.81 62.22 3.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.088 . . . . 71.230000000000004 108.303 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -101.21 151.55 21.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 63.310000000000002 110.007 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 38.95 30.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 73.530000000000001 110.27 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.437 ' HA ' ' CG2' ' A' ' 28' ' ' THR . 2.0 m -132.7 -71.43 0.53 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 75.409999999999997 108.302 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -93.93 155.31 17.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 64.329999999999998 109.591 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.493 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 56.9 p -117.2 -36.13 3.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 73.310000000000002 110.363 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.568 HG13 ' CE1' ' A' ' 10' ' ' PHE . 8.7 m 49.05 27.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 75.129999999999995 109.266 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.448 ' CG ' ' HB ' ' A' ' 19' ' ' THR . 1.8 pt-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 64.120000000000005 110.311 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 pttp . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.279 -0.638 . . . . 71.510000000000005 109.279 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.409 ' CE1' ' H ' ' A' ' 31' ' ' ASN . 7.3 m170 -64.02 131.38 47.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 74.519999999999996 109.588 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.63 -85.21 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 74.230000000000004 109.279 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.437 ' CG2' ' HA ' ' A' ' 17' ' ' CYS . 24.2 p -87.92 -34.98 17.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 72.129999999999995 110.374 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -136.3 -176.74 14.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.442 1.089 . . . . 73.329999999999998 110.979 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.45 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -75.02 143.34 28.89 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.408 1.741 . . . . 64.109999999999999 110.985 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.409 ' H ' ' CE1' ' A' ' 26' ' ' HIS . 13.7 t-20 -53.08 161.75 0.78 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.6 1.188 . . . . 72.230000000000004 109.306 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -120.93 72.85 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 75.230000000000004 109.243 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -120.9 -48.67 2.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 64.430000000000007 109.625 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.11 22.88 36.4 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 75.209999999999994 110.965 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.9 tp -49.4 -74.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 74.120000000000005 109.316 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.536 ' CE2' ' HG3' ' A' ' 99' ' ' LYS . 8.3 m-85 -54.5 132.56 44.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 72.530000000000001 111.027 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.89 33.32 41.97 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.532 1.145 . . . . 54.109999999999999 111.055 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -145.21 135.83 24.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 0.749 . . . . 74.230000000000004 110.256 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.443 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 6.8 mtmm -73.1 -178.86 3.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 73.120000000000005 109.29 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.0 p -90.06 141.53 28.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 75.439999999999998 110.391 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.417 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 61.99 57.98 14.85 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.565 1.165 . . . . 62.5 111.025 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 44' ' ' PRO . 96.4 mm-40 -115.63 -41.91 3.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 74.219999999999999 110.286 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.44 99.84 0.2 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 73.209999999999994 109.355 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.4 Cg_endo -74.95 -0.62 10.16 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.5 1.79 . . . . 71.209999999999994 111.019 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.12 -46.62 2.8 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 63.409999999999997 111.008 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.443 ' O ' ' CE1' ' A' ' 48' ' ' TYR . 36.9 t80 -125.82 81.61 2.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 0.778 . . . . 73.200000000000003 111.004 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.6 t -56.28 139.49 47.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.58 1.175 . . . . 74.420000000000002 110.005 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.545 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 1.9 m-30 -91.73 -175.99 4.33 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.63 1.206 . . . . 74.5 111.039 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 p -62.51 161.26 12.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 75.150000000000006 110.339 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.51 -23.17 66.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 65.450000000000003 109.247 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.94 -70.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 73.129999999999995 109.277 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.96 -42.19 36.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.406 1.066 . . . . 72.120000000000005 109.297 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -48.27 -50.21 30.7 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.414 1.071 . . . . 75.030000000000001 109.244 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -49.14 -55.66 11.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 73.209999999999994 109.265 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.476 ' HE3' ' CE1' ' A' ' 74' ' ' TYR . 4.9 tppt? -43.39 137.79 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 71.129999999999995 109.298 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.25 64.7 0.5 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.567 1.167 . . . . 74.099999999999994 111.029 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 pp -124.87 164.91 22.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.509 0.77 . . . . 74.010000000000005 109.287 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.443 ' CD1' ' HG3' ' A' ' 39' ' ' LYS . 4.1 mm -92.19 142.65 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 74.329999999999998 109.312 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.569 ' CH2' ' CD2' ' A' ' 67' ' ' TYR . 23.1 m95 -86.54 152.15 22.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 75.239999999999995 108.015 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.415 ' C ' ' N ' ' A' ' 62' ' ' ASP . . . 178.12 146.52 6.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.118 . . . . 64.519999999999996 111.031 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.586 ' CB ' ' CG2' ' A' ' 95' ' ' ILE . 1.4 pt-20 -40.18 -29.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 71.140000000000001 110.268 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.415 ' N ' ' C ' ' A' ' 60' ' ' GLY . 0.4 OUTLIER -67.18 -61.93 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 64.109999999999999 109.323 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.9 p -58.93 -26.08 64.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 73.219999999999999 110.369 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 70.1 mt -73.06 -41.84 63.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 75.519999999999996 109.328 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 34.0 tpp -61.29 -18.42 58.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.075 . . . . 75.319999999999993 111.05 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -107.58 -27.67 10.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 74.209999999999994 110.259 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.637 ' CE1' ' CB ' ' A' ' 71' ' ' PRO . 7.8 t80 -87.59 -10.63 50.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 73.530000000000001 110.997 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.9 mt -84.12 -37.45 21.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 71.439999999999998 109.265 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -51.59 -35.55 41.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 72.120000000000005 110.225 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -170.56 82.91 0.55 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 64.519999999999996 109.305 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.637 ' CB ' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.04 0.18 9.23 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.582 1.833 . . . . 74.420000000000002 111.038 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -84.87 -18.76 33.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 72.430000000000007 109.302 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -94.81 -52.23 4.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 74.439999999999998 109.303 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.476 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 2.9 t80 -41.35 -28.85 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 73.430000000000007 111.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.457 ' CG2' ' HB ' ' A' ' 78' ' ' THR . 6.5 mt -143.62 90.13 7.2 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 74.530000000000001 109.291 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 119.57 5.7 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.451 1.764 . . . . 75.430000000000007 110.942 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.04 13.27 34.28 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.46 1.1 . . . . 64.010000000000005 110.959 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.457 ' HB ' ' CG2' ' A' ' 75' ' ' ILE . 13.2 t -81.34 175.02 10.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 74.510000000000005 110.397 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.437 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 3.0 mtmt -96.05 -15.95 21.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 71.340000000000003 109.246 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.1 tpp -51.77 108.94 0.31 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.144 . . . . 75.049999999999997 110.996 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.437 ' CD1' ' O ' ' A' ' 79' ' ' LYS . 16.5 mm -93.43 69.83 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 73.129999999999995 109.295 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -146.28 128.79 16.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 74.409999999999997 111.032 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.9 m -87.6 -15.69 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 72.200000000000003 109.363 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 97.45 168.14 32.69 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.562 1.164 . . . . 73.519999999999996 111.046 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.438 ' O ' ' NH1' ' A' ' 91' ' ' ARG . 2.8 mp -99.45 167.95 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.558 0.799 . . . . 73.430000000000007 109.233 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.26 -65.19 1.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.16 . . . . 74.439999999999998 109.317 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -47.05 130.14 12.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.61 1.194 . . . . 74.420000000000002 109.296 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -74.91 -34.29 62.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.568 1.168 . . . . 73.519999999999996 109.269 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -62.49 -43.4 98.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 73.439999999999998 110.266 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -64.58 -33.9 77.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 64.239999999999995 110.313 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.438 ' NH1' ' O ' ' A' ' 85' ' ' ILE . 52.8 mtm-85 -72.04 -37.27 69.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 75.239999999999995 110.275 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.98 -61.71 2.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 64.010000000000005 109.321 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 96' ' ' ALA . 28.0 m-20 -52.6 -53.98 39.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 75.329999999999998 109.272 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.415 ' HG ' ' CD1' ' A' ' 98' ' ' LEU . 58.4 tp -47.78 -39.91 19.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 75.239999999999995 109.352 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.586 ' CG2' ' CB ' ' A' ' 61' ' ' GLU . 65.2 mt -75.99 -30.18 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 73.239999999999995 109.3 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -66.08 -32.97 74.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 72.299999999999997 109.334 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.574 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 0.9 OUTLIER -90.02 -35.64 15.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 74.519999999999996 111.024 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.415 ' CD1' ' HG ' ' A' ' 94' ' ' LEU . 38.1 mt -63.93 -18.84 64.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 73.239999999999995 109.292 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.536 ' HG3' ' CE2' ' A' ' 36' ' ' PHE . 32.1 tttm -95.4 -52.57 4.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 74.099999999999994 109.328 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -64.38 -15.7 60.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 72.120000000000005 109.284 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.567 ' HB1' ' CE1' ' A' ' 97' ' ' TYR . . . -78.83 -57.18 3.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 75.140000000000001 109.308 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 44.7 p -71.74 -20.7 61.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 73.420000000000002 110.41 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -64.22 -65.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 74.0 109.261 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 74.299999999999997 110.327 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.039 -0.824 . . . . 61.299999999999997 111.039 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -42.43 154.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 0.817 . . . . 74.519999999999996 109.337 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -113.11 -53.23 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 75.340000000000003 109.311 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -38.43 -57.14 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 73.120000000000005 110.322 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -45.16 -45.02 11.24 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 75.510000000000005 109.294 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -73.92 -26.8 68.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 72.040000000000006 110.974 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.564 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 8.5 ttpp -75.41 -20.55 58.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.463 0.743 . . . . 75.299999999999997 109.278 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -94.04 -19.56 20.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 65.219999999999999 109.276 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.8 mt -98.1 -15.4 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 74.319999999999993 109.299 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.547 ' CE1' HG11 ' A' ' 20' ' ' VAL . 9.1 t80 -84.93 -29.11 25.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 73.319999999999993 110.996 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.494 ' O ' ' CB ' ' A' ' 15' ' ' SER . 84.8 mt -81.63 -69.1 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 74.439999999999998 109.27 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.2 mmt -38.12 -30.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 74.120000000000005 111.012 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.538 ' HE2' ' CZ ' ' A' ' 82' ' ' PHE . 4.9 mtpm? -103.36 -67.77 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 74.310000000000002 109.302 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -84.77 60.31 6.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 71.230000000000004 108.285 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -100.54 152.49 20.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 63.310000000000002 110.018 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 39.75 31.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 73.530000000000001 110.372 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.7 m -135.1 -67.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 75.409999999999997 108.334 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -97.23 151.03 20.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 64.329999999999998 109.58 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.5 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 17.4 p -114.08 -32.02 6.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 73.310000000000002 110.334 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.547 HG11 ' CE1' ' A' ' 10' ' ' PHE . 12.1 m 48.72 27.46 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 75.129999999999995 109.286 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 64.120000000000005 110.28 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.347 -0.612 . . . . 71.510000000000005 109.347 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -73.01 121.97 20.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 74.519999999999996 109.562 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -110.45 -101.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 74.230000000000004 109.262 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -74.74 -28.65 60.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 72.129999999999995 110.44 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -143.28 -162.76 9.47 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.55 1.156 . . . . 73.329999999999998 110.983 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.408 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.01 152.7 41.02 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.441 1.759 . . . . 64.109999999999999 110.916 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -76.44 135.12 39.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 72.230000000000004 109.321 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.2 mt -94.37 81.19 3.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 75.230000000000004 109.355 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -104.75 -58.53 1.87 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 64.430000000000007 109.597 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.07 37.63 3.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.431 1.082 . . . . 75.209999999999994 111.028 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.9 tp -41.19 -54.48 2.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 74.120000000000005 109.249 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.553 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 15.0 m-85 -87.01 106.65 17.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 72.530000000000001 110.959 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.55 27.75 5.11 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 54.109999999999999 111.004 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -137.41 124.75 21.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 74.230000000000004 110.311 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -61.92 -174.39 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 73.120000000000005 109.32 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.7 p -94.05 111.63 23.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 75.439999999999998 110.367 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.472 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 88.77 62.15 1.4 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.524 1.14 . . . . 62.5 111.045 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 43' ' ' ALA . 70.4 mm-40 -112.26 -39.73 4.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.41 0.712 . . . . 74.219999999999999 110.352 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.451 ' CB ' ' OH ' ' A' ' 48' ' ' TYR . . . -39.51 99.91 0.2 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 73.209999999999994 109.334 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -74.99 -1.52 11.32 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.519 1.8 . . . . 71.209999999999994 110.998 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.94 -14.7 28.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.465 1.103 . . . . 63.409999999999997 111.034 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -151.02 120.93 7.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 73.200000000000003 111.03 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.0 p -95.67 138.28 33.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 74.420000000000002 109.95 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.621 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -98.24 -174.91 2.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 74.5 111.042 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.429 HG21 ' CG ' ' A' ' 79' ' ' LYS . 25.0 p -61.3 175.62 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.405 1.066 . . . . 75.150000000000006 110.327 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.426 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -80.86 -15.92 55.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 65.450000000000003 109.282 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.3 -51.49 17.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 73.129999999999995 109.275 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 55' ' ' LYS . 2.5 t30 -73.14 -51.5 17.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 72.120000000000005 109.278 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -47.3 -43.36 22.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 75.030000000000001 109.25 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -61.59 -35.98 79.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 73.209999999999994 109.315 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 52' ' ' ASN . 6.8 tptp -47.08 144.67 2.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.457 1.098 . . . . 71.129999999999995 109.348 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.6 68.48 0.44 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 74.099999999999994 111.014 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.39 165.46 14.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.437 0.728 . . . . 74.010000000000005 109.323 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.6 mm -98.25 156.44 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 74.329999999999998 109.296 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -97.69 143.71 28.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 75.239999999999995 108.024 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.553 ' HA2' ' CE2' ' A' ' 36' ' ' PHE . . . -164.19 -153.07 7.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.113 . . . . 64.519999999999996 111.039 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -87.93 -37.94 16.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.471 0.747 . . . . 71.140000000000001 110.353 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -73.69 -49.45 25.7 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 64.109999999999999 109.318 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.6 p -60.53 -27.65 67.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 73.219999999999999 110.353 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.7 mt -84.31 -39.88 18.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 75.519999999999996 109.329 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.457 ' HE2' ' CD1' ' A' ' 95' ' ' ILE . 3.8 mmt -53.61 -22.99 9.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 75.319999999999993 111.035 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -98.09 -47.73 5.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.11 . . . . 74.209999999999994 110.278 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.56 ' CD1' ' HB3' ' A' ' 71' ' ' PRO . 34.6 t80 -52.41 -41.09 62.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 73.530000000000001 111.049 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.6 mt -72.07 -43.09 65.42 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.557 1.161 . . . . 71.439999999999998 109.288 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -52.48 -39.14 60.87 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.496 1.123 . . . . 72.120000000000005 110.294 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -170.37 82.66 0.57 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 64.519999999999996 109.301 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.56 ' HB3' ' CD1' ' A' ' 67' ' ' TYR . 18.5 Cg_endo -74.9 0.08 9.29 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.779 . . . . 74.420000000000002 111.033 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.46 ' HA ' ' CE ' ' A' ' 72' ' ' LYS . 0.3 OUTLIER -80.34 -30.79 38.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 72.430000000000007 109.322 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -86.94 -34.91 19.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 74.439999999999998 109.307 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -59.73 -55.06 39.06 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.515 1.134 . . . . 73.430000000000007 111.006 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.2 mt -134.86 82.1 44.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 74.530000000000001 109.209 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 109.85 3.0 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.476 1.777 . . . . 75.430000000000007 110.931 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.4 -10.28 8.18 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.449 1.093 . . . . 64.010000000000005 111.013 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.1 t -54.47 160.7 1.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 74.510000000000005 110.37 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.429 ' CG ' HG21 ' A' ' 49' ' ' THR . 14.2 mtmt -78.32 -21.81 49.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.108 . . . . 71.340000000000003 109.271 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.2 ttt -64.89 119.74 11.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 75.049999999999997 110.974 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.3 mm -96.35 116.94 39.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 73.129999999999995 109.307 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.538 ' CZ ' ' HE2' ' A' ' 13' ' ' LYS . 14.5 t80 -172.95 165.93 5.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 74.409999999999997 111.032 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.421 ' CG2' ' N ' ' A' ' 84' ' ' GLY . 22.0 m -112.09 -52.26 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 72.200000000000003 109.328 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.421 ' N ' ' CG2' ' A' ' 83' ' ' VAL . . . 143.31 175.65 16.61 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 73.519999999999996 110.976 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.6 mt -110.94 147.21 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 73.430000000000007 109.314 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.87 -54.7 3.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 74.439999999999998 109.255 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.4 mtmm -65.33 113.41 4.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 74.420000000000002 109.269 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -71.61 -24.45 61.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 73.519999999999996 109.252 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -67.74 -42.79 81.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 73.439999999999998 110.262 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -63.44 -24.42 67.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 64.239999999999995 110.257 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.417 ' O ' ' CG1' ' A' ' 95' ' ' ILE . 38.3 mtm180 -73.06 -35.52 66.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 75.239999999999995 110.328 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.435 ' O ' ' CB ' ' A' ' 96' ' ' ALA . . . -63.83 -35.23 79.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 64.010000000000005 109.297 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -76.37 -53.53 8.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 75.329999999999998 109.3 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.447 ' CD1' ' HB2' ' A' ' 10' ' ' PHE . 31.3 tp -56.95 -31.42 64.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 75.239999999999995 109.28 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.457 ' CD1' ' HE2' ' A' ' 65' ' ' MET . 69.6 mt -84.39 -37.35 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 73.239999999999995 109.368 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -63.49 -31.72 72.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.583 1.177 . . . . 72.299999999999997 109.36 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.564 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -85.75 -31.42 22.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 74.519999999999996 111.006 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.4 mt -76.68 -27.34 55.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 73.239999999999995 109.279 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.543 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 15.9 pttm -79.11 -31.9 44.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 74.099999999999994 109.268 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -90.44 -25.89 20.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 72.120000000000005 109.358 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 97' ' ' TYR . . . -68.45 -48.31 64.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 75.140000000000001 109.371 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 42.7 p -82.85 6.78 17.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 73.420000000000002 110.477 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -96.74 -51.33 4.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 74.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 74.299999999999997 110.257 -179.92 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.983 -0.847 . . . . 61.299999999999997 110.983 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.25 175.57 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 0.791 . . . . 74.519999999999996 109.283 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.548 HG21 ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -110.81 -42.93 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 75.340000000000003 109.303 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.437 ' O ' ' CD ' ' A' ' 8' ' ' LYS . 1.2 mp0 -53.37 -32.81 51.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 73.120000000000005 110.347 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -69.47 -27.74 65.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.396 1.06 . . . . 75.510000000000005 109.298 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.24 -12.87 40.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.444 1.09 . . . . 72.040000000000006 110.93 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.566 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 22.9 tttp -74.44 -35.94 63.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 0.787 . . . . 75.299999999999997 109.312 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.437 ' CD ' ' O ' ' A' ' 4' ' ' GLU . 0.8 OUTLIER -69.2 -43.53 73.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 65.219999999999999 109.321 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.1 mt -64.71 -32.55 58.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 74.319999999999993 109.308 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.563 ' CE1' HG11 ' A' ' 20' ' ' VAL . 61.9 t80 -73.0 -23.09 60.59 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.604 1.19 . . . . 73.319999999999993 111.016 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.7 mt -97.23 -9.9 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 74.439999999999998 109.322 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 6.9 mmt -105.4 -6.86 19.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 74.120000000000005 111.037 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -134.04 -66.01 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 74.310000000000002 109.326 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.493 ' HB2' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -88.48 55.79 3.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 71.230000000000004 108.309 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -108.95 156.11 20.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 63.310000000000002 109.956 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 48.39 24.01 0.66 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 73.530000000000001 110.301 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.7 m -130.81 -68.4 0.68 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.578 1.174 . . . . 75.409999999999997 108.309 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -86.2 170.3 12.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 64.329999999999998 109.571 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.487 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 41.2 p -121.32 -41.47 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 73.310000000000002 110.411 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.563 HG11 ' CE1' ' A' ' 10' ' ' PHE . 9.8 m 48.89 27.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.394 1.059 . . . . 75.129999999999995 109.293 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.423 ' CG ' ' HB ' ' A' ' 19' ' ' THR . 2.4 pt-20 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 64.120000000000005 110.345 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.5 pttt . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.308 -0.627 . . . . 71.510000000000005 109.308 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -87.23 83.35 7.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 74.519999999999996 109.643 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -66.76 -167.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 74.230000000000004 109.324 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 p -38.37 -37.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 72.129999999999995 110.386 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.98 156.71 15.45 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.496 1.123 . . . . 73.329999999999998 110.972 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 152.78 41.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.524 1.802 . . . . 64.109999999999999 110.973 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.436 ' ND2' ' OG1' ' A' ' 19' ' ' THR . 7.2 t-20 -69.72 168.64 14.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 72.230000000000004 109.321 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.417 HD12 ' CG1' ' A' ' 20' ' ' VAL . 1.3 mp -140.63 107.87 5.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 75.230000000000004 109.339 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.406 ' H ' ' NH2' ' A' ' 38' ' ' ARG . 3.1 t-160 -116.39 -65.99 1.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 64.430000000000007 109.566 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.08 34.16 5.93 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.563 1.165 . . . . 75.209999999999994 111.036 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.438 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 5.6 tp -40.55 -40.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 0.787 . . . . 74.120000000000005 109.276 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.562 ' CE1' ' CB ' ' A' ' 99' ' ' LYS . 12.2 m-85 -90.85 93.95 9.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 72.530000000000001 111.003 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.73 4.04 9.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.454 1.096 . . . . 54.109999999999999 110.936 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.438 ' CD ' ' HA ' ' A' ' 35' ' ' LEU . 8.6 ptp180 -105.49 165.62 11.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 0.774 . . . . 74.230000000000004 110.318 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.488 ' NZ ' ' N ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -96.18 -177.66 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 73.120000000000005 109.272 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.6 p -91.09 110.06 21.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 75.439999999999998 110.367 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.07 42.51 4.65 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 62.5 111.017 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 44' ' ' PRO . 26.4 mm-40 -94.76 -32.37 13.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 0.776 . . . . 74.219999999999999 110.294 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 48' ' ' TYR . . . -39.39 99.8 0.2 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 73.209999999999994 109.364 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.411 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -74.89 -14.54 21.38 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.509 1.794 . . . . 71.209999999999994 110.995 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -87.32 -7.39 76.52 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.522 1.138 . . . . 63.409999999999997 111.008 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -169.09 113.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 73.200000000000003 110.988 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.2 m -83.36 132.26 35.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 74.420000000000002 110.042 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.501 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 3.3 m-30 -85.42 178.58 7.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 74.5 110.973 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.8 p -60.92 179.16 0.19 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.494 1.121 . . . . 75.150000000000006 110.375 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.74 9.7 18.08 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.502 1.126 . . . . 65.450000000000003 109.327 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.64 -30.91 12.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.402 1.064 . . . . 73.129999999999995 109.282 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.62 -40.37 7.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 72.120000000000005 109.281 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -60.17 -43.01 96.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 75.030000000000001 109.314 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 55' ' ' LYS . 51.7 p-10 -63.1 -15.35 56.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 73.209999999999994 109.307 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.449 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 19.9 tptt -73.56 150.53 41.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 71.129999999999995 109.343 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.61 75.54 0.32 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 74.099999999999994 110.97 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.8 pp -144.75 149.57 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 74.010000000000005 109.239 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.467 HD13 ' CD ' ' A' ' 39' ' ' LYS . 1.9 mm -82.95 124.07 39.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 74.329999999999998 109.27 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.406 ' CE3' ' HA ' ' A' ' 59' ' ' TRP . 7.2 m95 -66.74 100.8 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.97 -1.122 . . . . 75.239999999999995 107.97 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -115.16 -158.91 12.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.568 1.167 . . . . 64.519999999999996 111.043 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -89.47 -55.6 3.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 0.803 . . . . 71.140000000000001 110.333 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -54.95 -20.27 8.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 64.109999999999999 109.31 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 41.0 p -80.73 -55.44 4.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 73.219999999999999 110.378 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.2 mt -54.81 -20.02 7.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 75.519999999999996 109.264 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.2 mmt -65.13 -64.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 75.319999999999993 111.025 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.57 -30.88 71.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 74.209999999999994 110.315 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.423 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 13.1 t80 -62.26 -59.6 4.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 73.530000000000001 110.968 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.452 ' CD2' HD12 ' A' ' 94' ' ' LEU . 8.4 mp -58.46 -28.46 65.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 71.439999999999998 109.303 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -66.23 -39.33 89.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 72.120000000000005 110.302 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -166.48 80.79 1.03 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 64.519999999999996 109.294 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.423 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.97 -2.75 12.95 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.469 1.773 . . . . 74.420000000000002 111.035 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -17.19 56.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 72.430000000000007 109.32 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.35 -36.09 8.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 74.439999999999998 109.256 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -62.67 -44.31 96.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 73.430000000000007 111.011 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.7 mt -141.52 87.01 10.57 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 74.530000000000001 109.335 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 128.83 11.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 75.430000000000007 111.003 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.16 25.96 20.21 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.551 1.157 . . . . 64.010000000000005 111.006 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.2 t -86.44 161.7 18.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 74.510000000000005 110.406 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -93.92 30.5 1.83 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 71.340000000000003 109.298 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.8 ttp -114.35 76.56 1.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.183 . . . . 75.049999999999997 111.048 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.458 ' CG2' ' O ' ' A' ' 81' ' ' ILE . 2.2 tp -52.43 115.54 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 73.129999999999995 109.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -170.66 161.43 7.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 74.409999999999997 110.981 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.1 m -110.1 -32.3 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 72.200000000000003 109.317 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.39 160.72 11.25 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.507 1.129 . . . . 73.519999999999996 111.053 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.4 mt -98.43 143.98 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.74 . . . . 73.430000000000007 109.257 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.412 ' N ' ' CD ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -97.86 -46.0 6.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 74.439999999999998 109.283 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -60.41 140.99 56.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 74.420000000000002 109.25 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -89.45 -51.61 5.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.586 1.178 . . . . 73.519999999999996 109.27 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -53.31 -36.62 61.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 73.439999999999998 110.287 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -60.8 -29.47 69.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 64.239999999999995 110.29 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 79.1 mtm-85 -86.81 -31.14 21.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 75.239999999999995 110.275 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.68 -16.1 62.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 64.010000000000005 109.301 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -105.86 -43.07 4.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 75.329999999999998 109.299 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.452 HD12 ' CD2' ' A' ' 68' ' ' LEU . 2.0 tm? -58.64 -30.64 67.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 75.239999999999995 109.308 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 34.3 mt -85.95 -42.02 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 73.239999999999995 109.287 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.97 -20.93 6.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 72.299999999999997 109.327 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.566 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -92.78 -60.5 1.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 74.519999999999996 110.96 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.436 ' CD2' ' CG1' ' A' ' 20' ' ' VAL . 12.3 mt -49.62 -29.09 6.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 73.239999999999995 109.274 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.562 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 11.7 pttp -72.23 -35.95 69.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 74.099999999999994 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 97' ' ' TYR . 45.7 tttm -86.54 -15.39 40.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 72.120000000000005 109.256 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.529 ' HB1' ' CE1' ' A' ' 97' ' ' TYR . . . -89.17 -16.0 32.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 75.140000000000001 109.323 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 64.3 p -119.76 36.9 4.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 73.420000000000002 110.396 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -128.11 -46.54 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 74.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 74.299999999999997 110.279 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.971 -0.852 . . . . 61.299999999999997 110.971 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -42.72 154.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 74.519999999999996 109.348 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 6' ' ' GLY . 0.2 OUTLIER -116.2 -52.82 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.589 1.181 . . . . 75.340000000000003 109.312 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -38.01 -56.87 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 73.120000000000005 110.251 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -46.93 -46.58 21.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 75.510000000000005 109.264 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -73.02 -23.85 77.04 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 72.040000000000006 111.035 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.575 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 16.0 tttm -71.3 -24.03 62.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 75.299999999999997 109.299 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -88.6 -39.84 13.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 65.219999999999999 109.306 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.459 ' CG2' ' CE ' ' A' ' 13' ' ' LYS . 38.3 mt -73.49 -29.4 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.591 1.182 . . . . 74.319999999999993 109.314 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.547 ' CZ ' HG12 ' A' ' 20' ' ' VAL . 12.2 t80 -68.04 -21.94 64.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.416 1.073 . . . . 73.319999999999993 110.981 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 15' ' ' SER . 90.0 mt -85.71 -63.3 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 74.439999999999998 109.299 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -52.3 -20.1 2.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 74.120000000000005 110.972 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.459 ' CE ' ' CG2' ' A' ' 9' ' ' ILE . 30.7 mttm -107.04 -43.0 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 74.310000000000002 109.277 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -126.34 75.89 1.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 71.230000000000004 108.357 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.7 t -116.0 151.88 34.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 63.310000000000002 110.052 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 45.45 33.3 1.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 73.530000000000001 110.289 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.4 m -139.24 -59.28 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 75.409999999999997 108.29 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -102.51 129.56 49.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.147 . . . . 64.329999999999998 109.554 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.492 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 15.0 p -91.55 -29.6 16.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 73.310000000000002 110.412 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.547 HG12 ' CZ ' ' A' ' 10' ' ' PHE . 35.9 m 46.43 29.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.41 1.069 . . . . 75.129999999999995 109.272 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 64.120000000000005 110.302 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.282 -0.636 . . . . 71.510000000000005 109.282 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -98.95 77.67 2.22 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.483 1.114 . . . . 74.519999999999996 109.622 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -64.96 -167.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 74.230000000000004 109.231 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 p -38.4 -34.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 72.129999999999995 110.399 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -115.53 155.79 16.07 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.519 1.137 . . . . 73.329999999999998 111.042 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.87 154.0 42.86 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.451 1.763 . . . . 64.109999999999999 111.057 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -75.53 161.36 29.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 72.230000000000004 109.279 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.68 103.0 5.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 75.230000000000004 109.332 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -114.12 -55.75 2.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 64.430000000000007 109.626 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.03 30.67 9.91 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.518 1.136 . . . . 75.209999999999994 110.991 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.427 ' HB3' ' CG2' ' A' ' 102' ' ' THR . 17.4 tp -42.0 -75.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.777 . . . . 74.120000000000005 109.318 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.624 ' CE2' ' NZ ' ' A' ' 99' ' ' LYS . 77.5 m-85 -64.53 114.22 4.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 72.530000000000001 110.959 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.62 29.06 7.58 Favored Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.512 1.133 . . . . 54.109999999999999 110.99 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -146.47 153.75 40.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 74.230000000000004 110.335 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -81.73 174.11 11.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 73.120000000000005 109.237 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 45.6 p -84.93 148.5 26.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 75.439999999999998 110.392 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.563 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 62.68 45.5 95.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.123 . . . . 62.5 110.986 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 43' ' ' ALA . 64.8 mm-40 -97.22 -35.14 10.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 0.786 . . . . 74.219999999999999 110.313 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.472 ' HB1' ' CE1' ' A' ' 48' ' ' TYR . . . -39.51 99.94 0.2 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 73.209999999999994 109.33 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.0 Cg_endo -75.08 -1.19 10.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 71.209999999999994 110.96 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.04 -24.11 12.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 63.409999999999997 111.058 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -154.6 112.13 3.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.559 0.799 . . . . 73.200000000000003 110.976 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.4 p -76.35 140.77 41.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 74.420000000000002 109.966 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.563 ' CD2' ' HA2' ' A' ' 41' ' ' GLY . 3.2 m-30 -91.36 -177.12 4.75 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.569 1.168 . . . . 74.5 111.007 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.7 p -53.73 174.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 75.150000000000006 110.376 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.29 -16.14 56.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 65.450000000000003 109.319 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.28 -58.94 2.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 73.129999999999995 109.318 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -38.13 75.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 72.120000000000005 109.265 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -66.02 -31.84 72.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 75.030000000000001 109.332 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.523 HD21 ' N ' ' A' ' 54' ' ' ASN . 1.2 m-80 -90.61 16.06 9.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 73.209999999999994 109.2 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 57' ' ' ILE . 9.4 tptp -102.66 48.65 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 71.129999999999995 109.296 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.73 85.39 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.46 1.1 . . . . 74.099999999999994 111.031 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 55' ' ' LYS . 2.2 pp -150.39 138.1 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 74.010000000000005 109.294 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.9 mm -70.99 135.64 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 74.329999999999998 109.357 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -76.54 164.28 26.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 75.239999999999995 107.971 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 170.31 175.72 39.32 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.466 1.104 . . . . 64.519999999999996 110.994 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.467 ' HG3' ' CE ' ' A' ' 99' ' ' LYS . 42.3 mt-10 -60.48 -31.67 70.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 0.791 . . . . 71.140000000000001 110.308 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -73.05 -64.45 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 64.109999999999999 109.207 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.438 ' O ' ' CB ' ' A' ' 67' ' ' TYR . 49.7 p -54.1 -29.33 44.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 73.219999999999999 110.372 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.8 mt -75.49 -47.36 27.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.589 1.18 . . . . 75.519999999999996 109.271 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.9 mmt -45.1 -58.67 3.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 75.319999999999993 110.932 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 69' ' ' GLU . 0.5 OUTLIER -66.87 -59.62 3.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 74.209999999999994 110.275 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.438 ' CB ' ' O ' ' A' ' 63' ' ' THR . 55.9 t80 -41.05 -31.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 73.530000000000001 110.982 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.9 mt -79.73 -46.88 16.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.112 . . . . 71.439999999999998 109.283 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 66' ' ' GLU . 33.6 tt0 -49.6 -29.11 6.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 72.120000000000005 110.243 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -173.62 90.31 0.36 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 64.519999999999996 109.262 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 -4.9 16.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.496 1.788 . . . . 74.420000000000002 111.001 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -89.69 -18.58 26.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 72.430000000000007 109.318 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.453 ' N ' ' CD ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -98.71 -24.38 15.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 74.439999999999998 109.282 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -82.99 -32.27 27.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 73.430000000000007 110.979 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.1 mt -139.4 88.85 12.46 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 74.530000000000001 109.343 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 122.61 7.32 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.5 1.789 . . . . 75.430000000000007 111.021 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.84 30.97 8.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.597 1.186 . . . . 64.010000000000005 111.011 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.8 t -98.78 166.14 11.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 0.794 . . . . 74.510000000000005 110.36 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -82.34 -18.69 41.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.593 1.183 . . . . 71.340000000000003 109.334 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 63.3 mmm -48.29 106.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 75.049999999999997 111.025 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.5 mt -105.49 90.38 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 73.129999999999995 109.314 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.403 ' CZ ' ' O ' ' A' ' 83' ' ' VAL . 43.3 t80 -174.59 147.55 1.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 74.409999999999997 110.989 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.403 ' O ' ' CZ ' ' A' ' 82' ' ' PHE . 27.2 m -93.86 136.51 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 72.200000000000003 109.303 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -45.0 159.0 0.17 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 73.519999999999996 110.931 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.6 mt -87.64 156.29 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 0.752 . . . . 73.430000000000007 109.292 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -96.44 -48.18 5.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 74.439999999999998 109.295 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -67.6 146.16 54.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 74.420000000000002 109.245 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -89.81 -38.79 13.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 73.519999999999996 109.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 92' ' ' ALA . 32.1 tt0 -64.68 -47.23 79.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 73.439999999999998 110.291 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -49.06 -27.31 3.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 64.239999999999995 110.331 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -85.18 -30.36 23.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 75.239999999999995 110.26 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 89' ' ' GLU . . . -67.35 -42.61 83.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 64.010000000000005 109.27 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -71.4 -54.54 10.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 75.329999999999998 109.312 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.401 ' CD1' ' HB2' ' A' ' 10' ' ' PHE . 48.0 tp -46.06 -44.77 15.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 75.239999999999995 109.289 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 73.6 mt -69.74 -51.69 38.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 73.239999999999995 109.256 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -40.58 -43.28 1.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 72.299999999999997 109.308 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.586 ' C ' ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -69.4 -64.36 0.89 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.487 1.117 . . . . 74.519999999999996 111.058 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 97' ' ' TYR . 12.1 mt -40.58 -29.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 73.239999999999995 109.246 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.624 ' NZ ' ' CE2' ' A' ' 36' ' ' PHE . 33.9 mttm -65.96 -54.34 27.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 74.099999999999994 109.331 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 97' ' ' TYR . 32.7 tttt -72.22 -15.32 61.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 72.120000000000005 109.294 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.487 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -73.98 -57.12 4.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 75.140000000000001 109.356 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.427 ' CG2' ' HB3' ' A' ' 35' ' ' LEU . 28.3 p -77.83 0.64 23.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 73.420000000000002 110.413 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -75.68 -31.07 59.59 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 74.0 109.255 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.401 1.063 . . . . 74.299999999999997 110.33 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.109 -0.797 . . . . 61.299999999999997 111.109 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.41 ' CB ' ' HE2' ' A' ' 5' ' ' LYS . 1.0 OUTLIER -56.86 165.21 1.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.759 . . . . 74.519999999999996 109.299 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.45 ' CG1' ' HA ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -117.26 -52.94 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 75.340000000000003 109.24 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -41.82 -50.02 4.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 73.120000000000005 110.215 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.41 ' HE2' ' CB ' ' A' ' 2' ' ' ASP . 1.1 mppt? -53.51 -41.65 66.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.587 1.18 . . . . 75.510000000000005 109.283 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -81.74 -16.87 71.87 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.594 1.184 . . . . 72.040000000000006 111.021 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.565 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 10.5 tptm -76.05 -47.18 25.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 0.782 . . . . 75.299999999999997 109.231 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -65.13 -37.46 87.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 65.219999999999999 109.282 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.454 ' CG2' ' HD2' ' A' ' 13' ' ' LYS . 71.9 mt -66.14 -49.75 73.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 74.319999999999993 109.31 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.57 ' CE1' HG13 ' A' ' 20' ' ' VAL . 52.1 t80 -60.14 -39.76 87.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 73.319999999999993 111.006 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.432 ' CD1' ' HG3' ' A' ' 7' ' ' LYS . 75.5 mt -73.76 -10.48 13.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.581 1.176 . . . . 74.439999999999998 109.249 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.4 mtt -113.41 -4.61 13.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 74.120000000000005 110.933 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.454 ' HD2' ' CG2' ' A' ' 9' ' ' ILE . 36.5 mttm -123.7 -56.36 1.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 74.310000000000002 109.305 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -121.05 77.03 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 71.230000000000004 108.258 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.26 6.85 8.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 63.310000000000002 109.98 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -116.82 -35.77 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 73.530000000000001 110.289 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 89.0 m -95.74 -81.68 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 75.409999999999997 108.275 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.544 ' ND1' ' CD1' ' A' ' 32' ' ' LEU . 96.7 m-70 -64.66 143.08 58.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 64.329999999999998 109.608 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.495 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 41.7 p -115.62 -33.57 5.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 73.310000000000002 110.457 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.57 HG13 ' CE1' ' A' ' 10' ' ' PHE . 6.4 m 49.51 28.27 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 75.129999999999995 109.348 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.073 . . . . 64.120000000000005 110.337 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.303 -0.629 . . . . 71.510000000000005 109.303 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.5 ' CD2' ' HB2' ' A' ' 31' ' ' ASN . 4.1 m170 -84.94 128.86 34.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 74.519999999999996 109.551 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.8 mtmm -131.31 -97.05 0.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 74.230000000000004 109.334 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.7 m -69.97 -33.43 72.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 72.129999999999995 110.419 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.01 -170.57 12.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.419 1.074 . . . . 73.329999999999998 111.029 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 150.04 37.76 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.55 1.816 . . . . 64.109999999999999 111.078 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.5 ' HB2' ' CD2' ' A' ' 26' ' ' HIS . 12.2 t-20 -79.6 118.3 21.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 72.230000000000004 109.243 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.544 ' CD1' ' ND1' ' A' ' 18' ' ' HIS . 2.4 mp -65.83 75.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 75.230000000000004 109.278 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' ASN . 79.1 t60 -110.03 -68.21 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 64.430000000000007 109.577 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.09 25.47 27.7 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.535 1.147 . . . . 75.209999999999994 110.981 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.464 ' HB3' ' CG2' ' A' ' 102' ' ' THR . 7.5 tp -40.48 -75.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 0.743 . . . . 74.120000000000005 109.28 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.567 ' CD1' ' HA ' ' A' ' 99' ' ' LYS . 14.0 m-85 -64.71 156.7 29.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.45 1.094 . . . . 72.530000000000001 110.973 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.04 0.72 66.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.483 1.114 . . . . 54.109999999999999 110.957 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.9 ttm-85 -123.79 162.31 23.46 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 0.784 . . . . 74.230000000000004 110.292 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.42 ' CD ' HD12 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -84.44 178.59 7.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 73.120000000000005 109.292 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.1 p -84.45 117.05 23.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 75.439999999999998 110.415 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.538 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 81.56 54.72 3.4 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.119 . . . . 62.5 110.946 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 43' ' ' ALA . 78.9 mm-40 -109.17 -32.21 7.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 74.219999999999999 110.355 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.486 ' HB1' ' CZ ' ' A' ' 48' ' ' TYR . . . -39.63 99.97 0.21 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 73.209999999999994 109.276 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.401 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.0 Cg_endo -75.02 -1.04 10.71 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.506 1.793 . . . . 71.209999999999994 110.994 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.84 -40.35 3.6 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 63.409999999999997 111.009 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.582 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 11.9 t80 -129.5 85.27 2.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 0.764 . . . . 73.200000000000003 110.995 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.5 m -60.87 123.11 16.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 74.420000000000002 110.06 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 46' ' ' TYR . 2.2 m-30 -79.76 -174.65 4.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 74.5 110.976 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.4 p -67.73 -175.48 0.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 75.150000000000006 110.405 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.77 13.63 17.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 65.450000000000003 109.297 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.54 -56.52 2.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 73.129999999999995 109.272 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.495 ' OD1' ' CD1' ' A' ' 75' ' ' ILE . 1.0 OUTLIER -79.77 -29.67 40.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 72.120000000000005 109.339 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -68.89 -16.47 63.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 75.030000000000001 109.391 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -75.23 -43.49 51.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 73.209999999999994 109.301 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -49.95 158.62 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 71.129999999999995 109.29 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.63 14.47 2.45 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 74.099999999999994 110.986 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 pp -92.86 164.87 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.743 . . . . 74.010000000000005 109.319 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.42 HD12 ' CD ' ' A' ' 39' ' ' LYS . 3.1 mm -91.0 144.46 9.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 74.329999999999998 109.327 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.419 ' CB ' HD13 ' A' ' 35' ' ' LEU . 7.3 m95 -79.55 116.75 19.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.605 1.19 . . . . 75.239999999999995 108.004 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.499 ' HA2' ' CE2' ' A' ' 36' ' ' PHE . . . -132.02 -175.88 14.18 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.598 1.187 . . . . 64.519999999999996 110.928 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -72.66 -26.15 61.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 0.775 . . . . 71.140000000000001 110.253 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -71.94 -69.16 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 64.109999999999999 109.229 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 66.4 p -45.35 -43.3 10.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 73.219999999999999 110.329 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.479 HD12 ' CZ ' ' A' ' 36' ' ' PHE . 42.7 mt -65.09 -55.1 20.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 75.519999999999996 109.271 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 31.9 tpp -46.88 -28.12 1.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 75.319999999999993 111.02 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -95.51 -23.72 16.97 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 74.209999999999994 110.289 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.601 ' CE1' ' CB ' ' A' ' 71' ' ' PRO . 18.0 t80 -73.33 -56.08 5.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 73.530000000000001 110.974 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -46.82 -40.55 13.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 71.439999999999998 109.35 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -53.78 -46.41 71.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 72.120000000000005 110.331 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -161.07 79.47 2.23 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 64.519999999999996 109.259 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.601 ' CB ' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.97 0.27 9.09 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.551 1.816 . . . . 74.420000000000002 111.054 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -86.14 -20.43 28.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 72.430000000000007 109.273 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.2 pttp -95.36 -42.99 8.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 74.439999999999998 109.296 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -49.78 -42.79 47.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 73.430000000000007 111.041 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.495 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 8.6 mt -137.13 89.68 16.32 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.633 1.208 . . . . 74.530000000000001 109.264 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.04 3.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.522 1.801 . . . . 75.430000000000007 110.969 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.58 7.87 13.15 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 64.010000000000005 111.02 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.4 t -75.88 164.73 25.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 0.805 . . . . 74.510000000000005 110.426 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -88.05 -15.77 35.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 71.340000000000003 109.302 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 1.3 tpt -43.67 140.38 1.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 75.049999999999997 111.001 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.413 ' N ' ' HG3' ' A' ' 80' ' ' MET . 12.3 mm -125.09 107.22 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 73.129999999999995 109.367 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -170.84 176.06 4.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 74.409999999999997 110.955 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.428 ' CG2' ' N ' ' A' ' 84' ' ' GLY . 23.7 m -116.27 -53.49 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.447 1.092 . . . . 72.200000000000003 109.322 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.428 ' N ' ' CG2' ' A' ' 83' ' ' VAL . . . 136.32 155.22 7.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.11 . . . . 73.519999999999996 110.993 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.425 ' O ' ' NH1' ' A' ' 91' ' ' ARG . 18.5 mt -98.55 151.69 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 73.430000000000007 109.327 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -92.36 -68.12 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 74.439999999999998 109.267 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.441 ' O ' ' NH1' ' A' ' 91' ' ' ARG . 34.4 mtpt -45.85 150.12 0.57 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 74.420000000000002 109.302 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -87.69 -56.23 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 73.519999999999996 109.275 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -56.83 -36.38 69.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 73.439999999999998 110.346 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -55.24 -18.61 6.39 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.522 1.139 . . . . 64.239999999999995 110.365 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.464 ' O ' ' CG1' ' A' ' 95' ' ' ILE . 77.0 mtm-85 -98.75 -31.23 11.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 75.239999999999995 110.252 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.76 -17.94 64.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 64.010000000000005 109.288 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -91.05 -53.84 4.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 75.329999999999998 109.271 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 10' ' ' PHE . 19.0 tp -61.2 -30.5 70.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 75.239999999999995 109.379 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.464 ' CG1' ' O ' ' A' ' 91' ' ' ARG . 61.7 mt -83.43 -13.59 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 73.239999999999995 109.317 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -86.63 -37.85 17.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 72.299999999999997 109.282 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.565 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -81.41 -35.15 31.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 74.519999999999996 110.988 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.458 ' CD2' HG13 ' A' ' 20' ' ' VAL . 20.4 mt -72.42 -33.97 67.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.415 1.072 . . . . 73.239999999999995 109.316 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.567 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 14.0 pttp -76.17 -32.95 59.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 74.099999999999994 109.216 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.8 ttpp -86.63 -23.39 25.7 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.476 1.11 . . . . 72.120000000000005 109.234 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 97' ' ' TYR . . . -69.89 -28.26 65.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 75.140000000000001 109.278 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.464 ' CG2' ' HB3' ' A' ' 35' ' ' LEU . 35.2 p -104.24 13.66 31.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 73.420000000000002 110.362 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -104.84 -47.28 4.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 74.0 109.262 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 74.299999999999997 110.3 -179.954 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.012 -0.835 . . . . 61.299999999999997 111.012 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -75.5 -179.41 4.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 0.73 . . . . 74.519999999999996 109.276 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.455 HG23 ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -110.34 -50.78 6.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.541 1.151 . . . . 75.340000000000003 109.214 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -47.56 -37.71 12.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 73.120000000000005 110.322 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.451 ' N ' ' CD ' ' A' ' 5' ' ' LYS . 1.2 mptm? -64.74 -34.79 79.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 75.510000000000005 109.326 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -91.38 -11.32 61.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.456 1.098 . . . . 72.040000000000006 110.958 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.575 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 18.1 tttt -76.29 -22.09 55.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.413 0.714 . . . . 75.299999999999997 109.24 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -93.74 -22.3 18.8 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.554 1.158 . . . . 65.219999999999999 109.348 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.9 mt -91.12 -16.78 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 74.319999999999993 109.298 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.501 ' CZ ' ' CG1' ' A' ' 20' ' ' VAL . 19.7 t80 -84.6 -27.68 27.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 73.319999999999993 111.063 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 15' ' ' SER . 46.8 mt -83.93 -68.63 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 74.439999999999998 109.334 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' ILE . 40.7 mmm -37.81 -30.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 74.120000000000005 110.973 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 11' ' ' ILE . 10.2 mtpp -101.93 -61.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 74.310000000000002 109.292 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -100.03 66.76 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 71.230000000000004 108.259 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.5 t -105.6 144.69 32.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 63.310000000000002 109.969 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 15' ' ' SER . 82.8 mt-30 38.96 34.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 73.530000000000001 110.286 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.0 m -133.46 -69.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 75.409999999999997 108.305 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -98.33 112.03 24.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 64.329999999999998 109.597 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 p -87.58 162.84 16.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.419 1.075 . . . . 73.310000000000002 110.434 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.501 ' CG1' ' CZ ' ' A' ' 10' ' ' PHE . 1.5 m -136.16 15.83 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 75.129999999999995 109.27 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 64.120000000000005 110.296 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.4 pttt . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.292 -0.633 . . . . 71.510000000000005 109.292 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.451 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 80.7 m-70 -72.72 121.37 19.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 74.519999999999996 109.563 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -100.93 -100.02 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 74.230000000000004 109.308 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.0 m -85.89 -14.45 44.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 72.129999999999995 110.415 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -159.53 -167.83 20.71 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.465 1.103 . . . . 73.329999999999998 110.934 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 148.72 35.85 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 64.109999999999999 111.02 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -84.04 129.32 34.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 72.230000000000004 109.303 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.411 HD13 ' N ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -89.03 81.73 6.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.403 1.064 . . . . 75.230000000000004 109.303 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -105.45 -53.9 2.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 64.430000000000007 109.613 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' LEU . . . -102.03 32.44 7.53 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.55 1.156 . . . . 75.209999999999994 110.966 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 34' ' ' GLY . 49.3 tp -40.46 -75.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.754 . . . . 74.120000000000005 109.345 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -60.29 109.53 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 72.530000000000001 110.985 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.23 38.3 4.08 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.459 1.1 . . . . 54.109999999999999 110.953 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.9 ttm-85 -146.88 134.32 20.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 74.230000000000004 110.276 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.462 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 14.2 mtmt -74.2 167.65 21.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 73.120000000000005 109.244 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.449 HG21 ' CE2' ' A' ' 59' ' ' TRP . 11.9 p -79.95 126.28 30.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.519 1.137 . . . . 75.439999999999998 110.353 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.461 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 78.75 39.94 19.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.478 1.111 . . . . 62.5 111.003 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 43' ' ' ALA . 46.9 mm-40 -104.24 -21.11 13.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 74.219999999999999 110.238 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.441 ' CB ' ' OH ' ' A' ' 48' ' ' TYR . . . -39.5 99.84 0.2 Allowed Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 73.209999999999994 109.3 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -74.94 58.2 4.77 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.52 1.8 . . . . 71.209999999999994 110.996 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.17 -40.32 0.03 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.52 1.138 . . . . 63.409999999999997 110.971 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.451 ' HB2' ' CD2' ' A' ' 26' ' ' HIS . 6.7 t80 -129.48 121.61 27.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.783 . . . . 73.200000000000003 111.0 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.8 m -88.28 140.29 29.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 74.420000000000002 109.994 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.529 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 2.6 m-30 -95.85 -171.62 2.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.08 . . . . 74.5 111.015 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.457 ' CG2' ' HG2' ' A' ' 79' ' ' LYS . 18.7 p -62.28 170.1 2.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 75.150000000000006 110.378 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.77 -15.14 59.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.605 1.191 . . . . 65.450000000000003 109.32 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.414 ' HA ' ' ND2' ' A' ' 54' ' ' ASN . . . -92.14 -15.8 27.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 73.129999999999995 109.318 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.4 -30.3 11.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 72.120000000000005 109.284 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -64.9 -63.06 1.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 1.101 . . . . 75.030000000000001 109.348 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.414 ' ND2' ' HA ' ' A' ' 51' ' ' ALA . 10.5 p30 -41.08 -31.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 73.209999999999994 109.327 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -40.63 116.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 71.129999999999995 109.295 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -120.45 75.57 0.32 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 74.099999999999994 110.993 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.415 ' CD1' ' OH ' ' A' ' 74' ' ' TYR . 4.5 pt -144.13 -179.73 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.408 0.711 . . . . 74.010000000000005 109.413 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.462 ' CD1' ' HG3' ' A' ' 39' ' ' LYS . 3.8 mm -127.74 118.25 48.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 74.329999999999998 109.254 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.449 ' CE2' HG21 ' A' ' 40' ' ' THR . 71.6 m95 -61.47 151.9 31.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 75.239999999999995 108.068 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.484 ' O ' ' CD1' ' A' ' 64' ' ' LEU . . . -168.54 -152.74 7.84 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.51 1.132 . . . . 64.519999999999996 110.925 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.482 ' O ' ' CG ' ' A' ' 65' ' ' MET . 1.8 tt0 -86.9 -24.64 24.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 0.747 . . . . 71.140000000000001 110.278 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -91.49 -59.17 2.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 64.109999999999999 109.33 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 63.7 p -47.66 -29.56 3.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 73.219999999999999 110.356 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.484 ' CD1' ' O ' ' A' ' 60' ' ' GLY . 59.8 mt -84.86 -37.11 21.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.107 . . . . 75.519999999999996 109.318 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.482 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 2.7 mmt -56.52 -16.67 6.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 75.319999999999993 111.009 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -104.99 -62.46 1.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 74.209999999999994 110.302 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 71' ' ' PRO . 33.4 t80 -39.12 -60.25 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 73.530000000000001 111.049 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.551 ' CB ' ' NH1' ' A' ' 91' ' ' ARG . 1.6 mp -60.03 -40.23 88.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 71.439999999999998 109.322 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -59.52 -29.33 67.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 72.120000000000005 110.317 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 179.54 88.93 0.18 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 64.519999999999996 109.276 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.99 -17.35 19.65 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.53 1.805 . . . . 74.420000000000002 110.98 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -63.45 -18.45 63.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 72.430000000000007 109.335 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -108.88 6.0 24.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 74.439999999999998 109.349 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.415 ' OH ' ' CD1' ' A' ' 57' ' ' ILE . 1.7 t80 -110.04 -63.03 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 73.430000000000007 110.994 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.7 mt -126.61 83.67 64.35 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 74.530000000000001 109.353 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 119.06 5.49 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.519 1.8 . . . . 75.430000000000007 110.932 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.63 -17.67 12.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 64.010000000000005 111.02 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.9 t -45.19 158.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 0.74 . . . . 74.510000000000005 110.399 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.457 ' HG2' ' CG2' ' A' ' 49' ' ' THR . 0.9 OUTLIER -107.74 39.11 2.0 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 71.340000000000003 109.263 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.0 ttt -110.21 102.87 11.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 75.049999999999997 110.956 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.9 mm -62.01 118.77 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 73.129999999999995 109.322 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.402 ' CZ ' ' NZ ' ' A' ' 13' ' ' LYS . 8.4 t80 -172.32 178.32 2.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 74.409999999999997 111.019 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.0 m -130.24 -51.5 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 72.200000000000003 109.397 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 136.04 174.81 13.51 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.474 1.109 . . . . 73.519999999999996 110.978 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.406 ' HB ' ' CG ' ' A' ' 91' ' ' ARG . 6.1 mt -124.56 96.71 3.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.552 0.795 . . . . 73.430000000000007 109.246 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -67.59 -23.78 65.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 74.439999999999998 109.264 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.25 110.24 13.09 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.128 . . . . 74.420000000000002 109.301 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -67.06 -34.85 78.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.591 1.182 . . . . 73.519999999999996 109.215 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -58.38 -60.69 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 73.439999999999998 110.335 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -60.7 -21.96 63.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.176 . . . . 64.239999999999995 110.288 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.551 ' NH1' ' CB ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -79.21 -33.34 43.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 75.239999999999995 110.268 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -87.36 -8.23 56.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 64.010000000000005 109.258 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -95.8 -45.03 7.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 75.329999999999998 109.313 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.454 HD21 ' CD1' ' A' ' 98' ' ' LEU . 2.3 tt -54.69 -42.34 71.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 75.239999999999995 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.551 ' CD1' ' NH2' ' A' ' 91' ' ' ARG . 58.0 mt -61.41 -42.06 92.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 73.239999999999995 109.309 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.05 -50.53 27.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 72.299999999999997 109.297 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.575 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 1.9 t80 -70.92 -60.14 2.4 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.544 1.152 . . . . 74.519999999999996 111.018 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.454 ' CD1' HD21 ' A' ' 94' ' ' LEU . 15.4 mt -40.48 -35.26 0.43 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 73.239999999999995 109.257 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -62.68 -53.41 54.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 74.099999999999994 109.289 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 97' ' ' TYR . 8.3 ttmm -71.76 -14.59 62.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 72.120000000000005 109.236 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -86.15 -31.83 21.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 75.140000000000001 109.285 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.6 p -113.07 29.37 8.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 73.420000000000002 110.41 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -116.61 -42.72 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 74.0 109.333 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 74.299999999999997 110.312 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.004 -0.838 . . . . 61.299999999999997 111.004 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -68.36 134.47 50.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.521 0.777 . . . . 74.519999999999996 109.259 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.0 OUTLIER -79.11 -38.85 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 75.340000000000003 109.298 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -51.46 -49.31 61.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 73.120000000000005 110.294 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -55.22 -23.93 24.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 75.510000000000005 109.328 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.403 ' O ' ' CB ' ' A' ' 10' ' ' PHE . . . -100.1 -17.68 24.3 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.486 1.116 . . . . 72.040000000000006 111.029 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.532 ' CD ' ' CZ ' ' A' ' 97' ' ' TYR . 13.5 tptm -64.72 -54.93 23.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 0.786 . . . . 75.299999999999997 109.329 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -59.1 -56.35 23.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 65.219999999999999 109.304 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.44 HG22 ' CD ' ' A' ' 13' ' ' LYS . 59.7 mt -50.64 -44.25 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 74.319999999999993 109.335 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' A' ' 14' ' ' CYS . 18.6 t80 -63.45 -24.47 67.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 73.319999999999993 110.969 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.8 mt -83.65 -67.24 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 74.439999999999998 109.324 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.3 ttp -45.27 -25.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 74.120000000000005 110.99 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.44 ' CD ' HG22 ' A' ' 9' ' ' ILE . 4.8 mtpm? -103.4 -36.79 7.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.405 1.066 . . . . 74.310000000000002 109.319 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -132.72 81.68 1.96 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 71.230000000000004 108.364 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.426 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 6.0 t -113.49 133.28 55.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 63.310000000000002 109.95 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.426 ' CG ' ' O ' ' A' ' 15' ' ' SER . 16.4 pt20 43.27 31.76 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 73.530000000000001 110.308 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.19 -47.23 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 75.409999999999997 108.281 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.432 ' CE1' HD13 ' A' ' 32' ' ' LEU . 7.5 m-70 -109.29 136.9 47.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 64.329999999999998 109.601 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.3 p -109.0 147.5 32.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 73.310000000000002 110.335 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.2 m -133.18 13.97 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 75.129999999999995 109.25 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 64.120000000000005 110.262 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.318 -0.623 . . . . 71.510000000000005 109.318 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -99.37 134.68 41.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 74.519999999999996 109.592 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -126.83 -100.34 0.37 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 74.230000000000004 109.289 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.04 -22.18 23.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 72.129999999999995 110.423 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.9 157.47 25.35 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.483 1.114 . . . . 73.329999999999998 110.982 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 145.85 32.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.425 1.75 . . . . 64.109999999999999 111.021 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 33' ' ' HIS . 40.6 t-20 -72.79 124.82 26.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.403 1.064 . . . . 72.230000000000004 109.234 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.488 ' O ' ' CG2' ' A' ' 102' ' ' THR . 7.3 mp -95.97 43.15 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 75.230000000000004 109.331 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.449 ' N ' ' OD1' ' A' ' 31' ' ' ASN . 1.1 t-160 -69.98 -39.11 76.14 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.469 1.106 . . . . 64.430000000000007 109.62 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.21 24.67 30.34 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.538 1.149 . . . . 75.209999999999994 110.979 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.6 tp -40.54 -67.74 0.22 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.474 0.749 . . . . 74.120000000000005 109.299 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CE2' ' HD2' ' A' ' 99' ' ' LYS . 43.6 m-85 -74.86 97.52 3.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 72.530000000000001 111.001 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.83 30.65 2.29 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.561 1.163 . . . . 54.109999999999999 110.978 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.4 ttm-85 -146.78 123.12 10.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 0.733 . . . . 74.230000000000004 110.266 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -64.33 170.99 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 73.120000000000005 109.315 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.3 p -75.71 134.29 40.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 75.439999999999998 110.43 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.527 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 67.24 59.66 6.66 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 62.5 110.949 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 44' ' ' PRO . 37.7 mm-40 -113.69 -38.49 4.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 0.776 . . . . 74.219999999999999 110.329 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.446 ' CB ' ' OH ' ' A' ' 48' ' ' TYR . . . -39.56 99.94 0.2 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 73.209999999999994 109.263 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.411 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -75.02 -0.56 10.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.797 . . . . 71.209999999999994 110.978 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.68 -8.04 49.73 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.509 1.13 . . . . 63.409999999999997 111.018 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -166.05 120.77 1.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.748 . . . . 73.200000000000003 111.011 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.1 m -92.07 146.43 23.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 74.420000000000002 110.04 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.623 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -102.2 -175.17 2.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 74.5 110.997 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.401 HG21 ' NZ ' ' A' ' 79' ' ' LYS . 3.1 p -67.96 152.72 45.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 75.150000000000006 110.465 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.76 -24.13 47.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.158 . . . . 65.450000000000003 109.31 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.92 -51.6 66.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 73.129999999999995 109.321 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -74.77 -56.93 4.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 72.120000000000005 109.329 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.7 tttm -40.77 -57.22 1.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 75.030000000000001 109.228 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -41.86 -43.0 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 73.209999999999994 109.301 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' ASN . 9.0 tptt -47.2 145.57 2.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 71.129999999999995 109.289 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.63 75.31 0.32 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.559 1.162 . . . . 74.099999999999994 110.917 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.7 pp -151.53 159.02 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.545 0.791 . . . . 74.010000000000005 109.319 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.1 mm -96.22 146.43 7.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 74.329999999999998 109.31 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -84.98 166.44 16.74 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.017 -1.105 . . . . 75.239999999999995 108.017 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.416 ' O ' ' CD1' ' A' ' 64' ' ' LEU . . . -176.87 -154.97 12.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.519 1.137 . . . . 64.519999999999996 111.013 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -89.26 -23.77 22.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.465 0.744 . . . . 71.140000000000001 110.296 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -88.71 -60.03 2.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 64.109999999999999 109.338 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.4 p -48.0 -25.37 1.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 73.219999999999999 110.38 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.416 ' CD1' ' O ' ' A' ' 60' ' ' GLY . 36.9 mt -86.7 -39.06 16.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 75.519999999999996 109.308 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.8 mmt -56.13 -19.05 11.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 75.319999999999993 110.936 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -102.43 -34.3 9.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 74.209999999999994 110.292 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.546 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 13.7 t80 -69.79 -61.05 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 73.530000000000001 111.015 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mt -42.33 -41.54 2.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 71.439999999999998 109.353 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -54.89 -46.02 74.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 72.120000000000005 110.313 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 67' ' ' TYR . 1.1 p30 -156.31 76.19 4.58 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.606 1.191 . . . . 64.519999999999996 109.271 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.546 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.03 -4.44 15.4 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.565 1.824 . . . . 74.420000000000002 111.025 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.24 -21.65 23.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 72.430000000000007 109.261 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 74' ' ' TYR . 0.1 OUTLIER -92.84 -32.62 14.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 74.439999999999998 109.279 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.408 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 1.2 t80 -62.4 -43.54 98.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 73.430000000000007 110.926 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.7 mt -139.13 90.17 12.06 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.152 . . . . 74.530000000000001 109.254 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 138.07 22.47 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.51 1.795 . . . . 75.430000000000007 111.048 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.76 11.29 71.1 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 64.010000000000005 111.015 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.9 t -70.98 169.47 14.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 74.510000000000005 110.391 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.401 ' NZ ' HG21 ' A' ' 49' ' ' THR . 24.5 mttm -75.82 -28.9 58.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 71.340000000000003 109.311 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.2 tpp -43.06 133.23 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 75.049999999999997 110.976 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 27.2 mt -106.27 -28.44 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 73.129999999999995 109.348 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.558 ' CZ ' ' O ' ' A' ' 83' ' ' VAL . 51.3 t80 -59.53 166.92 2.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 74.409999999999997 111.052 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.558 ' O ' ' CZ ' ' A' ' 82' ' ' PHE . 26.1 m -120.15 139.55 47.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.573 1.171 . . . . 72.200000000000003 109.343 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -39.03 155.72 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.435 1.084 . . . . 73.519999999999996 110.997 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.444 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 77.3 mt -82.41 165.83 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 73.430000000000007 109.286 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.444 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 9.2 ptmt -109.17 -37.91 5.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 74.439999999999998 109.346 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -93.65 144.75 25.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 74.420000000000002 109.26 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.1 ptmm? -89.97 -38.34 13.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 73.519999999999996 109.346 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -57.35 -24.24 53.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 73.439999999999998 110.256 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -84.09 -23.16 30.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 64.239999999999995 110.304 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -73.28 -37.2 66.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 75.239999999999995 110.284 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 96' ' ' ALA . . . -70.33 -50.54 38.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.447 1.092 . . . . 64.010000000000005 109.342 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -55.42 -49.58 72.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 75.329999999999998 109.376 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.454 ' CD2' ' HG ' ' A' ' 98' ' ' LEU . 2.1 tt -62.4 -42.65 99.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.393 1.058 . . . . 75.239999999999995 109.278 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 57.7 mt -71.39 -15.35 18.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.548 1.155 . . . . 73.239999999999995 109.339 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 92' ' ' ALA . . . -76.88 -27.88 55.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 72.299999999999997 109.303 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.532 ' CZ ' ' CD ' ' A' ' 7' ' ' LYS . 3.6 t80 -96.84 -31.1 12.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.068 . . . . 74.519999999999996 111.007 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.454 ' HG ' ' CD2' ' A' ' 94' ' ' LEU . 16.0 mt -68.07 -11.84 59.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 73.239999999999995 109.307 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.561 ' HD2' ' CE2' ' A' ' 36' ' ' PHE . 3.6 tptm -98.31 -55.44 2.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 74.099999999999994 109.246 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.32 -37.59 72.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 72.120000000000005 109.278 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.476 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -69.44 -44.18 71.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 75.140000000000001 109.299 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 32' ' ' LEU . 10.9 p -98.22 41.74 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 73.420000000000002 110.443 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -126.83 -52.97 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 74.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 74.299999999999997 110.284 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.023 -0.831 . . . . 61.299999999999997 111.023 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -73.85 -179.65 3.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 74.519999999999996 109.264 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.563 HG21 ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -115.82 -52.45 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 75.340000000000003 109.291 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -47.47 -35.22 8.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 73.120000000000005 110.293 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.448 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -66.8 -35.93 81.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 75.510000000000005 109.265 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -90.88 -11.49 61.65 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.546 1.154 . . . . 72.040000000000006 111.057 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.566 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 25.7 tttt -72.27 -21.67 61.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 75.299999999999997 109.26 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -86.33 -43.68 12.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.564 1.165 . . . . 65.219999999999999 109.294 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.468 ' CD1' ' OD2' ' A' ' 93' ' ' ASP . 8.8 mt -67.94 -13.88 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 74.319999999999993 109.302 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.427 ' O ' ' N ' ' A' ' 14' ' ' CYS . 10.0 t80 -86.84 -25.13 24.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 73.319999999999993 110.976 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 13' ' ' LYS . 96.1 mt -82.79 -70.72 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 74.439999999999998 109.319 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.2 mmm -38.47 -30.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 74.120000000000005 110.975 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 11' ' ' ILE . 29.0 mttt -102.16 -65.69 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 74.310000000000002 109.284 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -94.82 61.47 2.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 71.230000000000004 108.327 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.1 p -67.77 -83.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 63.310000000000002 109.95 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -115.85 54.3 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 73.530000000000001 110.361 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m -127.36 -55.17 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 75.409999999999997 108.259 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.417 ' ND1' ' O ' ' A' ' 30' ' ' PRO . 31.3 m-70 -104.54 158.36 16.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 64.329999999999998 109.608 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.9 p -130.65 163.61 26.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 73.310000000000002 110.34 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.8 m -134.23 -52.58 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 75.129999999999995 109.28 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 64.120000000000005 110.326 -179.954 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.475 ' CD ' ' O ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.286 -0.635 . . . . 71.510000000000005 109.286 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 6.7 m-70 -90.46 128.13 36.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 74.519999999999996 109.572 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.1 -77.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 74.230000000000004 109.312 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.9 m -101.29 -21.34 14.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 72.129999999999995 110.421 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -153.05 -168.68 17.29 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.422 1.076 . . . . 73.329999999999998 110.987 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.545 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -74.93 140.12 25.27 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.489 1.784 . . . . 64.109999999999999 110.981 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 32' ' ' LEU . 4.6 t-20 -73.6 149.57 41.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 72.230000000000004 109.336 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.468 ' O ' ' CG2' ' A' ' 102' ' ' THR . 2.8 mp -106.2 88.77 2.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.452 1.095 . . . . 75.230000000000004 109.364 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.502 ' CD2' ' O ' ' A' ' 104' ' ' GLU . 24.5 t-80 -113.59 -54.84 2.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.47 1.106 . . . . 64.430000000000007 109.645 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' LEU . . . -102.12 24.75 30.14 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.411 1.069 . . . . 75.209999999999994 110.964 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 34' ' ' GLY . 56.7 tp -40.52 -76.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 74.120000000000005 109.295 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.641 ' CD2' ' NZ ' ' A' ' 99' ' ' LYS . 52.1 m-85 -58.62 102.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 72.530000000000001 111.071 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.2 27.94 4.86 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 54.109999999999999 111.037 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.432 ' HD3' ' CB ' ' A' ' 42' ' ' GLN . 43.3 ttm-85 -146.87 149.55 33.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 0.738 . . . . 74.230000000000004 110.29 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.447 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 16.0 mtmt -88.11 -174.91 4.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 73.120000000000005 109.292 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 40.4 p -83.18 173.52 11.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 75.439999999999998 110.373 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.528 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 39.02 51.84 2.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.448 1.093 . . . . 62.5 110.987 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.432 ' CB ' ' HD3' ' A' ' 38' ' ' ARG . 90.9 mm-40 -104.59 -46.91 4.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 0.776 . . . . 74.219999999999999 110.319 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.462 ' CB ' ' OH ' ' A' ' 48' ' ' TYR . . . -39.76 100.04 0.21 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.147 . . . . 73.209999999999994 109.306 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.1 Cg_endo -74.99 0.23 9.16 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.602 1.843 . . . . 71.209999999999994 110.999 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.75 -14.12 38.27 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.456 1.098 . . . . 63.409999999999997 110.957 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.558 ' HB2' ' CD2' ' A' ' 26' ' ' HIS . 18.5 t80 -150.26 146.01 26.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.605 0.827 . . . . 73.200000000000003 110.997 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.6 m -113.18 139.54 48.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 74.420000000000002 109.981 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.593 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -100.81 -171.92 2.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 74.5 110.986 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.456 HG22 ' CD ' ' A' ' 79' ' ' LYS . 2.3 p -63.65 177.1 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 75.150000000000006 110.404 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -84.67 -14.45 48.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 65.450000000000003 109.263 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.28 -31.08 20.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 73.129999999999995 109.333 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -74.94 -59.17 2.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.125 . . . . 72.120000000000005 109.322 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' ASN . 4.8 tttm -49.95 -52.71 31.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.573 1.171 . . . . 75.030000000000001 109.324 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -40.59 -36.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 73.209999999999994 109.294 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -62.52 143.25 57.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 71.129999999999995 109.349 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.5 72.7 0.41 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.424 1.078 . . . . 74.099999999999994 111.01 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.1 pp -135.51 154.31 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.416 0.715 . . . . 74.010000000000005 109.293 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.447 ' CD1' ' HG3' ' A' ' 39' ' ' LYS . 3.4 mm -87.92 131.47 35.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 74.329999999999998 109.302 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.426 ' CE3' HD23 ' A' ' 64' ' ' LEU . 36.9 m95 -71.75 138.25 48.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.976 -1.12 . . . . 75.239999999999995 107.976 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -151.87 -151.67 5.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.538 1.149 . . . . 64.519999999999996 111.003 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 65' ' ' MET . 27.6 mt-10 -89.3 -39.61 13.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 0.726 . . . . 71.140000000000001 110.337 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -75.29 -51.15 13.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 64.109999999999999 109.275 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 p -57.23 -30.23 64.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 73.219999999999999 110.444 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.426 HD23 ' CE3' ' A' ' 59' ' ' TRP . 84.0 mt -89.06 -33.25 17.2 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.119 . . . . 75.519999999999996 109.285 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.474 ' CB ' ' O ' ' A' ' 61' ' ' GLU . 8.2 ttm -72.86 -15.36 61.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 75.319999999999993 111.019 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -107.94 -23.82 11.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 74.209999999999994 110.256 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 4.2 t80 -84.11 -42.19 16.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 73.530000000000001 111.016 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 16.4 mt -59.41 -46.78 87.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 71.439999999999998 109.319 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 91' ' ' ARG . 14.4 tt0 -42.21 -30.37 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 72.120000000000005 110.266 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -173.18 92.61 0.37 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 64.519999999999996 109.24 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.566 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.96 -0.07 9.51 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.45 1.763 . . . . 74.420000000000002 111.006 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -93.27 -16.99 24.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.077 . . . . 72.430000000000007 109.309 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -93.68 -57.52 2.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 74.439999999999998 109.312 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -52.05 -26.54 11.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 73.430000000000007 110.975 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.6 mt -148.21 90.35 5.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 74.530000000000001 109.349 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 121.13 6.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.537 1.809 . . . . 75.430000000000007 111.011 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.87 -3.51 33.92 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.474 1.109 . . . . 64.010000000000005 110.966 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 t -49.03 177.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 0.746 . . . . 74.510000000000005 110.407 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.456 ' CD ' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -126.91 24.26 6.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.632 1.207 . . . . 71.340000000000003 109.324 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.427 ' HE1' ' CG ' ' A' ' 71' ' ' PRO . 1.9 ttt -99.18 112.14 24.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 75.049999999999997 110.964 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.0 mt -70.47 114.72 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 73.129999999999995 109.266 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -153.22 163.01 40.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 74.409999999999997 110.993 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.0 m -114.01 -49.52 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 72.200000000000003 109.308 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 137.77 169.01 11.5 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.468 1.105 . . . . 73.519999999999996 111.012 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.1 mt -129.78 -50.61 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 73.430000000000007 109.326 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? 55.62 20.83 4.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 74.439999999999998 109.29 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -110.28 153.57 24.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 74.420000000000002 109.264 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -90.38 -64.68 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 73.519999999999996 109.265 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 93' ' ' ASP . 2.4 mp0 -57.1 -53.39 58.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 73.439999999999998 110.281 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.54 -24.22 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 64.239999999999995 110.317 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.456 ' CZ ' ' HB2' ' A' ' 69' ' ' GLU . 39.3 mtm-85 -100.34 -23.76 14.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 75.239999999999995 110.301 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 89' ' ' GLU . . . -89.67 -4.06 57.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 64.010000000000005 109.255 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.468 ' OD2' ' CD1' ' A' ' 9' ' ' ILE . 1.2 p-10 -106.53 -26.93 11.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 75.329999999999998 109.246 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.463 HD12 ' CD1' ' A' ' 98' ' ' LEU . 2.6 tm? -78.15 -42.65 31.06 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.563 1.164 . . . . 75.239999999999995 109.345 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 65.9 mt -66.6 -38.71 82.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 73.239999999999995 109.311 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.77 -55.2 32.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 72.299999999999997 109.257 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.566 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -61.33 -60.45 3.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 74.519999999999996 110.979 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.463 ' CD1' HD12 ' A' ' 94' ' ' LEU . 14.2 mt -40.65 -48.26 2.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 73.239999999999995 109.307 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.641 ' NZ ' ' CD2' ' A' ' 36' ' ' PHE . 3.2 tptt -48.09 -49.13 32.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 74.099999999999994 109.324 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 97' ' ' TYR . 9.4 ttmm -73.25 -25.04 60.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 72.120000000000005 109.329 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.443 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -77.3 -19.79 55.91 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.419 1.074 . . . . 75.140000000000001 109.305 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.468 ' CG2' ' O ' ' A' ' 32' ' ' LEU . 35.7 p -113.68 24.07 12.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 73.420000000000002 110.479 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -108.92 -16.3 14.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 74.0 109.269 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.502 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 16.7 mt-10 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.447 1.092 . . . . 74.299999999999997 110.306 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.015 -0.834 . . . . 61.299999999999997 111.015 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.62 -177.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 74.519999999999996 109.237 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.432 HG21 ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -117.96 -50.86 4.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 75.340000000000003 109.324 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -50.96 -23.06 2.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 73.120000000000005 110.314 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -76.27 -35.57 58.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 75.510000000000005 109.326 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -94.28 -11.1 57.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.526 1.141 . . . . 72.040000000000006 111.016 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.574 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 12.9 tptm -72.76 -24.13 60.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 75.299999999999997 109.284 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.7 -43.73 15.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 65.219999999999999 109.328 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.7 mt -66.01 -11.37 12.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 74.319999999999993 109.291 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.555 ' CD1' ' HB2' ' A' ' 14' ' ' CYS . 3.9 t80 -87.02 -27.09 23.42 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.61 1.194 . . . . 73.319999999999993 111.007 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 15' ' ' SER . 20.1 mt -80.99 -68.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 74.439999999999998 109.339 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.3 mmt -40.88 -27.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 74.120000000000005 111.012 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.484 ' HD3' ' CE1' ' A' ' 82' ' ' PHE . 24.6 mttt -105.37 -71.8 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 74.310000000000002 109.297 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.555 ' HB2' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -86.87 50.61 2.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 71.230000000000004 108.3 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 11' ' ' ILE . 12.0 t -53.08 -82.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 63.310000000000002 110.042 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -120.36 58.18 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 73.530000000000001 110.261 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.409 ' HA ' ' CG2' ' A' ' 28' ' ' THR . 1.6 m -126.02 -46.59 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 75.409999999999997 108.311 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.44 ' CE1' HD12 ' A' ' 32' ' ' LEU . 88.2 m-70 -108.34 176.6 5.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 64.329999999999998 109.568 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.501 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 2.2 p -118.76 -37.56 3.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 73.310000000000002 110.408 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.507 HG22 ' CZ ' ' A' ' 10' ' ' PHE . 34.5 m 46.79 29.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 75.129999999999995 109.261 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.428 ' CG ' ' HB ' ' A' ' 19' ' ' THR . 1.6 pt-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 64.120000000000005 110.248 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.4 ' N ' HG22 ' A' ' 19' ' ' THR . 4.0 mmtm . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.274 -0.639 . . . . 71.510000000000005 109.274 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -120.22 115.58 23.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 74.519999999999996 109.645 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -119.61 -85.67 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 74.230000000000004 109.282 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.409 ' CG2' ' HA ' ' A' ' 17' ' ' CYS . 18.4 p -89.76 -44.19 10.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.394 1.058 . . . . 72.129999999999995 110.347 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -124.85 173.55 17.13 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 73.329999999999998 110.959 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.487 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 18.3 Cg_endo -74.96 142.19 27.69 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.517 1.798 . . . . 64.109999999999999 111.053 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 32' ' ' LEU . 4.3 t-20 -42.9 152.45 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 72.230000000000004 109.291 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.447 ' N ' ' OD1' ' A' ' 31' ' ' ASN . 20.4 mt -125.68 76.95 1.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 75.230000000000004 109.318 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.433 ' N ' ' OD1' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -125.08 -43.64 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 64.430000000000007 109.59 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.408 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -101.2 31.73 8.31 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.5 1.125 . . . . 75.209999999999994 111.016 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.3 tp -57.59 -54.19 49.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.594 0.82 . . . . 74.120000000000005 109.315 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -76.3 122.99 25.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 72.530000000000001 111.077 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.15 43.48 8.69 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 54.109999999999999 111.006 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.408 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 28.5 ttp180 -152.99 163.98 38.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 0.742 . . . . 74.230000000000004 110.286 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.406 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 14.7 mtmt -97.96 -178.19 4.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 73.120000000000005 109.32 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 67.7 p -95.52 146.69 24.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 75.439999999999998 110.456 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.564 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 63.63 59.77 8.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.572 1.17 . . . . 62.5 111.01 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 43' ' ' ALA . 56.4 mm-40 -108.85 -50.03 3.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.596 0.821 . . . . 74.219999999999999 110.272 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.47 ' CB ' ' OH ' ' A' ' 48' ' ' TYR . . . -39.48 99.93 0.2 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 73.209999999999994 109.286 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -75.0 0.14 9.27 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.461 1.769 . . . . 71.209999999999994 110.958 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.29 -23.07 17.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 63.409999999999997 110.937 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.514 ' O ' ' CE1' ' A' ' 48' ' ' TYR . 8.4 t80 -139.78 115.28 9.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 0.757 . . . . 73.200000000000003 111.04 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.3 m -89.03 123.45 33.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 74.420000000000002 110.002 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.629 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -84.31 -170.49 3.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.575 1.172 . . . . 74.5 110.991 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.446 HG21 ' CG ' ' A' ' 79' ' ' LYS . 2.7 p -72.8 168.95 17.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 75.150000000000006 110.451 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.69 -20.65 56.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 65.450000000000003 109.276 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.54 -28.72 65.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 73.129999999999995 109.293 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -96.74 -54.04 3.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 72.120000000000005 109.269 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.0 tttp -43.71 -50.53 7.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 75.030000000000001 109.263 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -53.16 -40.2 64.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 73.209999999999994 109.31 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 52' ' ' ASN . 15.5 tptp -43.62 141.16 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 71.129999999999995 109.363 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.458 ' O ' ' CG2' ' A' ' 57' ' ' ILE . . . -142.62 81.97 0.23 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.415 1.072 . . . . 74.099999999999994 110.995 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.458 ' CG2' ' O ' ' A' ' 56' ' ' GLY . 2.5 pp -155.3 156.9 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 74.010000000000005 109.285 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.0 mm -84.79 138.64 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.158 . . . . 74.329999999999998 109.254 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -78.85 166.79 22.03 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.982 -1.118 . . . . 75.239999999999995 107.982 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 164.49 159.68 11.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.095 . . . . 64.519999999999996 111.0 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.484 ' CB ' ' CG2' ' A' ' 95' ' ' ILE . 5.6 pt-20 -54.06 -32.72 55.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 0.788 . . . . 71.140000000000001 110.259 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.91 -39.91 83.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 64.109999999999999 109.326 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.6 p -81.14 -19.58 43.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 73.219999999999999 110.437 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 72.9 mt -79.65 -24.59 41.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.12 . . . . 75.519999999999996 109.28 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.8 tpt -63.08 -61.38 2.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.177 . . . . 75.319999999999993 111.014 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.98 -37.13 86.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 74.209999999999994 110.31 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.403 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 67.9 t80 -60.11 -65.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 73.530000000000001 110.99 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.5 mt -52.48 -28.84 21.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 71.439999999999998 109.353 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -70.05 -38.45 75.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 72.120000000000005 110.277 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -162.97 80.2 1.67 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 64.519999999999996 109.272 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.403 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -75.04 -1.62 11.47 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.499 1.789 . . . . 74.420000000000002 111.018 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.74 -15.91 52.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 72.430000000000007 109.299 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.08 -41.0 5.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 74.439999999999998 109.343 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -63.68 -37.8 88.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 73.430000000000007 111.036 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.1 mm -133.28 85.89 43.02 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 74.530000000000001 109.339 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 106.56 2.3 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.597 1.84 . . . . 75.430000000000007 110.996 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.2 41.29 2.1 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.535 1.147 . . . . 64.010000000000005 111.007 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 t -95.61 160.5 14.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.776 . . . . 74.510000000000005 110.384 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.446 ' CG ' HG21 ' A' ' 49' ' ' THR . 16.3 mtmm -92.09 -17.16 25.38 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.454 1.096 . . . . 71.340000000000003 109.306 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 7.0 ttt -67.63 102.37 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 75.049999999999997 111.043 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.4 mp -74.71 93.15 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.514 1.134 . . . . 73.129999999999995 109.33 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.484 ' CE1' ' HD3' ' A' ' 13' ' ' LYS . 11.2 t80 -128.97 130.07 46.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 74.409999999999997 110.981 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.1 m -76.51 -38.65 32.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 72.200000000000003 109.302 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.19 160.7 15.5 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.429 1.081 . . . . 73.519999999999996 111.064 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.2 mt -112.98 139.22 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 73.430000000000007 109.314 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.15 -30.53 11.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.107 . . . . 74.439999999999998 109.324 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.413 ' CB ' ' HB2' ' A' ' 90' ' ' GLU . 14.1 mmmt -71.73 135.28 46.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.17 . . . . 74.420000000000002 109.32 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -79.88 -40.83 27.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 73.519999999999996 109.313 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -69.54 -43.01 73.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 73.439999999999998 110.255 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.413 ' HB2' ' CB ' ' A' ' 87' ' ' LYS . 22.4 tt0 -49.94 -24.02 2.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 64.239999999999995 110.233 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 92.3 mtm-85 -97.22 -42.14 7.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 75.239999999999995 110.302 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.89 -34.49 54.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 64.010000000000005 109.333 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 3.8 t0 -74.42 -59.36 2.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 75.329999999999998 109.285 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 18.8 tp -43.19 -65.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 75.239999999999995 109.307 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.484 ' CG2' ' CB ' ' A' ' 61' ' ' GLU . 19.8 mt -40.99 -40.96 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 73.239999999999995 109.341 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 93' ' ' ASP . . . -54.57 -59.2 5.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 72.299999999999997 109.299 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.574 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -60.66 -57.35 13.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 74.519999999999996 110.972 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.0 mt -51.38 -30.29 18.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.15 . . . . 73.239999999999995 109.327 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 61.4 tttp -71.27 -32.91 69.27 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.454 1.096 . . . . 74.099999999999994 109.312 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 97' ' ' TYR . 7.3 ttpp -89.39 -16.41 31.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 72.120000000000005 109.279 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -81.34 -45.48 16.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 75.140000000000001 109.256 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.1 p -90.68 25.59 2.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 73.420000000000002 110.417 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -110.75 -29.23 8.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 74.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 74.299999999999997 110.326 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.993 -0.843 . . . . 61.299999999999997 110.993 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -64.38 133.08 51.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 0.785 . . . . 74.519999999999996 109.317 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 6' ' ' GLY . 1.1 m -78.44 -41.74 25.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.158 . . . . 75.340000000000003 109.279 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -45.16 -47.31 12.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 73.120000000000005 110.26 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.49 ' O ' ' CD1' ' A' ' 9' ' ' ILE . 13.6 mptt -57.0 -35.32 69.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 75.510000000000005 109.296 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.465 ' O ' ' CB ' ' A' ' 10' ' ' PHE . . . -88.08 -13.82 63.54 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.133 . . . . 72.040000000000006 111.023 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.571 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 16.0 ttpp -76.48 -41.26 47.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 0.779 . . . . 75.299999999999997 109.281 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.19 -15.64 42.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 65.219999999999999 109.365 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 5' ' ' LYS . 93.2 mt -93.73 -24.66 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 74.319999999999993 109.301 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.465 ' CB ' ' O ' ' A' ' 6' ' ' GLY . 7.8 t80 -73.31 -20.08 60.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 73.319999999999993 110.968 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.3 mt -83.63 -69.47 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 74.439999999999998 109.206 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -48.06 -25.9 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 74.120000000000005 111.002 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -98.0 -35.68 10.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 74.310000000000002 109.286 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -135.26 81.43 1.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 71.230000000000004 108.302 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.0 t -114.12 138.35 50.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 63.310000000000002 110.041 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 40.03 39.11 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 73.530000000000001 110.3 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -134.47 -49.7 0.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 75.409999999999997 108.259 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -115.61 162.15 17.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.406 1.066 . . . . 64.329999999999998 109.573 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.5 p -130.39 158.37 40.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.172 . . . . 73.310000000000002 110.384 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.439 HG11 ' CZ ' ' A' ' 10' ' ' PHE . 3.8 m -132.43 -47.94 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 75.129999999999995 109.338 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.438 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 2.8 pt-20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 64.120000000000005 110.275 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.384 -0.599 . . . . 71.510000000000005 109.384 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.514 ' CD2' ' HB2' ' A' ' 31' ' ' ASN . 8.1 m170 -68.33 131.59 45.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 74.519999999999996 109.568 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -119.17 -101.35 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 74.230000000000004 109.253 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.6 m -69.39 -33.59 73.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 72.129999999999995 110.474 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.19 176.82 20.75 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.5 1.125 . . . . 73.329999999999998 110.94 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.473 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 18.6 Cg_endo -74.93 149.29 36.84 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.498 1.788 . . . . 64.109999999999999 110.968 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.514 ' HB2' ' CD2' ' A' ' 26' ' ' HIS . 9.2 t-20 -64.14 118.2 8.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 72.230000000000004 109.309 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.86 -26.34 3.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 75.230000000000004 109.336 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -41.32 -39.72 1.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 64.430000000000007 109.536 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.88 48.6 1.08 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.488 1.118 . . . . 75.209999999999994 110.969 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.6 tp -89.86 -74.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 0.74 . . . . 74.120000000000005 109.312 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -62.54 114.39 3.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 72.530000000000001 110.942 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.07 40.05 4.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 54.109999999999999 110.985 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.8 ttm-85 -149.14 119.61 7.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 0.781 . . . . 74.230000000000004 110.305 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -63.8 -175.11 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 73.120000000000005 109.336 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.4 p -84.62 122.19 28.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 75.439999999999998 110.39 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.541 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 72.72 57.34 5.45 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.508 1.13 . . . . 62.5 111.015 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 44' ' ' PRO . 65.8 mm-40 -110.67 -36.28 5.77 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 0.795 . . . . 74.219999999999999 110.331 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.54 99.89 0.2 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 73.209999999999994 109.351 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.5 Cg_endo -74.93 -1.51 11.3 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.469 1.773 . . . . 71.209999999999994 111.018 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.52 -10.58 35.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 63.409999999999997 111.029 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -154.94 138.08 15.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.774 . . . . 73.200000000000003 110.973 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.7 m -109.63 144.17 38.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.455 1.097 . . . . 74.420000000000002 110.033 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.603 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 0.7 OUTLIER -103.64 -173.92 2.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 74.5 110.978 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.0 p -66.28 179.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 75.150000000000006 110.393 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.7 11.24 20.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 65.450000000000003 109.359 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.64 -45.1 6.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 73.129999999999995 109.306 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -85.21 -46.8 10.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 72.120000000000005 109.308 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -45.35 -27.7 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 75.030000000000001 109.26 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -70.69 -47.42 59.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 73.209999999999994 109.289 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 52' ' ' ASN . 6.7 tptm -44.29 149.25 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 71.129999999999995 109.345 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.444 ' O ' ' CG2' ' A' ' 57' ' ' ILE . . . -142.58 78.58 0.27 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.421 1.076 . . . . 74.099999999999994 110.931 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 58' ' ' ILE . 2.6 pp -155.11 172.1 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 74.010000000000005 109.281 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.484 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 3.6 mm -92.12 165.1 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 74.329999999999998 109.355 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.532 ' CE3' ' CD2' ' A' ' 64' ' ' LEU . 25.7 m95 -106.99 83.14 1.78 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.508 1.13 . . . . 75.239999999999995 108.016 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -95.17 -157.8 32.56 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.459 1.099 . . . . 64.519999999999996 110.984 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 65' ' ' MET . 1.7 mp0 -87.57 -48.4 7.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 0.751 . . . . 71.140000000000001 110.209 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -63.39 -36.65 84.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 64.109999999999999 109.298 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 48.2 p -64.0 -64.24 0.94 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 73.219999999999999 110.387 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.532 ' CD2' ' CE3' ' A' ' 59' ' ' TRP . 39.9 mt -56.05 -36.13 67.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 75.519999999999996 109.36 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.451 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 2.8 mmt -52.75 -19.56 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 75.319999999999993 111.027 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -105.51 -47.5 3.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 74.209999999999994 110.359 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.452 ' O ' ' N ' ' A' ' 71' ' ' PRO . 5.2 t80 -54.15 -60.88 2.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 73.530000000000001 111.022 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.547 ' CB ' ' NH1' ' A' ' 91' ' ' ARG . 4.7 mt -60.42 -23.58 64.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 71.439999999999998 109.287 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -75.74 -33.33 60.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 72.120000000000005 110.308 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -160.72 73.44 2.79 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.6 1.187 . . . . 64.519999999999996 109.3 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 67' ' ' TYR . 18.5 Cg_endo -74.97 -1.26 10.98 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 74.420000000000002 111.017 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -85.2 -17.09 38.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 72.430000000000007 109.232 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.87 -44.11 4.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 74.439999999999998 109.304 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -53.71 -51.86 61.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.165 . . . . 73.430000000000007 111.038 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.476 ' O ' ' CG2' ' A' ' 78' ' ' THR . 4.4 mt -137.31 88.26 17.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 74.530000000000001 109.301 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 127.26 10.56 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 75.430000000000007 111.011 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.03 -19.82 34.45 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.5 1.125 . . . . 64.010000000000005 110.982 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.476 ' CG2' ' O ' ' A' ' 75' ' ' ILE . 1.5 t -45.77 166.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.789 . . . . 74.510000000000005 110.421 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -88.7 -15.72 34.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 71.340000000000003 109.27 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 13.2 mmm -50.15 97.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 75.049999999999997 110.967 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 22.0 mm -77.05 58.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 73.129999999999995 109.223 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.498 ' CZ ' HG13 ' A' ' 85' ' ' ILE . 1.5 t80 -107.06 153.08 23.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 74.409999999999997 110.989 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.2 m -99.76 -28.8 3.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.457 1.098 . . . . 72.200000000000003 109.327 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.72 128.41 5.56 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.575 1.172 . . . . 73.519999999999996 110.996 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.498 HG13 ' CZ ' ' A' ' 82' ' ' PHE . 65.2 mt -84.37 84.92 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 73.430000000000007 109.342 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -42.9 -54.58 4.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 74.439999999999998 109.338 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.6 mmmt -62.74 137.01 58.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 74.420000000000002 109.278 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.46 -25.65 22.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.088 . . . . 73.519999999999996 109.28 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -58.88 -64.63 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 73.439999999999998 110.333 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.94 -20.71 17.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 64.239999999999995 110.274 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.547 ' NH1' ' CB ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -76.94 -37.36 55.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 75.239999999999995 110.293 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 93' ' ' ASP . . . -71.56 -67.2 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 64.010000000000005 109.305 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 96' ' ' ALA . 28.4 m-20 -40.25 -49.31 2.7 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.559 1.162 . . . . 75.329999999999998 109.326 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -44.51 -51.46 8.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 75.239999999999995 109.302 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.546 ' CD1' ' NH2' ' A' ' 91' ' ' ARG . 15.7 mt -64.21 -32.8 58.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 73.239999999999995 109.263 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -52.95 -32.49 46.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 72.299999999999997 109.272 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.571 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 7.3 t80 -95.17 -42.93 8.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 74.519999999999996 111.052 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 25.8 mt -66.51 -13.22 60.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 1.073 . . . . 73.239999999999995 109.284 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 95' ' ' ILE . 61.4 tttm -98.33 -20.24 17.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 74.099999999999994 109.274 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 37.3 tttp -100.89 -14.43 17.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 72.120000000000005 109.292 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -90.16 -28.06 19.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 75.140000000000001 109.301 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.4 p -104.4 23.44 13.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 73.420000000000002 110.438 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -111.36 -16.99 13.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 74.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 74.299999999999997 110.292 -179.943 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.115 -0.794 . . . . 61.299999999999997 111.115 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -71.89 131.64 43.28 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.463 0.743 . . . . 74.519999999999996 109.24 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 6' ' ' GLY . 1.2 m -77.49 -42.43 30.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 75.340000000000003 109.276 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -46.29 -43.06 15.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.622 1.201 . . . . 73.120000000000005 110.275 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -59.85 -35.17 74.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 75.510000000000005 109.25 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -92.79 -6.56 63.61 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.463 1.102 . . . . 72.040000000000006 111.047 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.557 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 8.0 tttm -78.73 -60.71 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.405 0.709 . . . . 75.299999999999997 109.313 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm -60.8 -31.43 70.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 65.219999999999999 109.341 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.6 mt -72.57 -42.0 63.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 74.319999999999993 109.326 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.42 ' O ' ' N ' ' A' ' 14' ' ' CYS . 25.6 t80 -65.12 -17.74 64.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.594 1.184 . . . . 73.319999999999993 111.037 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.456 ' O ' ' CB ' ' A' ' 15' ' ' SER . 30.8 mt -85.32 -57.92 3.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.527 1.142 . . . . 74.439999999999998 109.33 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 58.4 mtp -63.63 -11.29 24.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 74.120000000000005 110.985 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.1 mttm -113.51 -36.7 4.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 74.310000000000002 109.278 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -132.23 79.17 1.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 71.230000000000004 108.261 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.3 p -117.42 145.93 43.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 63.310000000000002 110.02 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 41.78 33.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 73.530000000000001 110.292 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -133.06 -71.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 75.409999999999997 108.279 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -96.55 140.6 30.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 64.329999999999998 109.573 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.468 ' CB ' ' ND2' ' A' ' 31' ' ' ASN . 27.8 p -112.37 154.09 26.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 73.310000000000002 110.346 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.7 m -136.5 12.17 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.073 . . . . 75.129999999999995 109.304 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 64.120000000000005 110.281 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.423 ' O ' ' CG2' ' A' ' 19' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.318 -0.623 . . . . 71.510000000000005 109.318 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.421 ' ND1' ' HA ' ' A' ' 30' ' ' PRO . 5.3 m170 -83.34 136.19 34.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 74.519999999999996 109.587 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -122.16 -77.11 0.59 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 74.230000000000004 109.372 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 m -96.87 -35.84 10.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 72.129999999999995 110.341 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -134.18 169.87 22.81 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.15 . . . . 73.329999999999998 111.003 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.525 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.06 138.09 22.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.447 1.762 . . . . 64.109999999999999 110.956 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.468 ' ND2' ' CB ' ' A' ' 19' ' ' THR . 9.8 t-20 -54.48 121.3 8.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 72.230000000000004 109.308 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 19' ' ' THR . 94.8 mt -59.8 -16.75 30.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.478 1.111 . . . . 75.230000000000004 109.335 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -40.07 -46.22 2.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 64.430000000000007 109.621 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.435 ' O ' ' NE ' ' A' ' 38' ' ' ARG . . . -102.1 50.14 0.97 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.628 1.205 . . . . 75.209999999999994 110.991 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.5 tp -88.72 -75.62 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 0.737 . . . . 74.120000000000005 109.275 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -60.76 98.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 72.530000000000001 111.025 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.64 33.58 2.23 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 54.109999999999999 110.963 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.435 ' NE ' ' O ' ' A' ' 34' ' ' GLY . 38.3 ttm-85 -150.06 106.46 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 74.230000000000004 110.262 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -45.03 167.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 73.120000000000005 109.262 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.2 p -79.03 109.34 13.24 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 75.439999999999998 110.453 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.544 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 92.84 60.68 1.19 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.532 1.145 . . . . 62.5 110.958 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 43' ' ' ALA . 61.1 mm-40 -118.89 -38.38 3.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 74.219999999999999 110.316 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.54 99.94 0.2 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 73.209999999999994 109.315 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -75.02 -1.45 11.24 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.516 1.798 . . . . 71.209999999999994 110.989 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.2 -21.65 14.82 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.125 . . . . 63.409999999999997 111.033 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -146.78 119.28 8.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 0.76 . . . . 73.200000000000003 110.954 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.4 m -92.19 143.76 26.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 74.420000000000002 110.039 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.58 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 0.7 OUTLIER -100.91 -174.93 2.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.4 1.063 . . . . 74.5 111.035 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.3 p -57.91 175.4 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.6 1.187 . . . . 75.150000000000006 110.427 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.82 -15.92 46.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 65.450000000000003 109.303 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.73 -26.18 21.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 73.129999999999995 109.326 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -83.97 -50.78 7.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 72.120000000000005 109.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -51.83 -34.4 40.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 75.030000000000001 109.306 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -56.24 -40.6 74.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 73.209999999999994 109.281 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -52.95 137.32 32.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 71.129999999999995 109.349 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.43 76.58 0.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 74.099999999999994 111.013 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.6 pp -149.78 158.29 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 74.010000000000005 109.318 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 35.8 mm -88.91 126.14 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 74.329999999999998 109.282 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -69.96 152.5 44.38 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.971 -1.122 . . . . 75.239999999999995 107.971 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.443 ' O ' ' CD1' ' A' ' 64' ' ' LEU . . . -160.33 -155.4 7.74 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.54 1.15 . . . . 64.519999999999996 110.952 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.409 ' CG ' ' HD2' ' A' ' 99' ' ' LYS . 14.1 mt-10 -87.69 -32.95 18.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 71.140000000000001 110.264 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.446 ' CG ' ' N ' ' A' ' 63' ' ' THR . 2.4 p-10 -80.01 -49.39 11.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 64.109999999999999 109.275 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.446 ' N ' ' CG ' ' A' ' 62' ' ' ASP . 18.7 p -61.37 -18.89 60.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 73.219999999999999 110.409 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.443 ' CD1' ' O ' ' A' ' 60' ' ' GLY . 20.8 mt -90.57 -47.39 7.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 75.519999999999996 109.308 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 tpt -44.17 -38.01 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 75.319999999999993 110.955 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 69' ' ' GLU . 64.8 tt0 -79.25 -54.23 6.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 74.209999999999994 110.317 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -48.4 -30.12 4.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 73.530000000000001 110.984 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.9 mt -78.3 -32.67 49.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 71.439999999999998 109.294 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 66' ' ' GLU . 59.4 tt0 -69.93 -30.51 67.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 72.120000000000005 110.294 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -170.91 85.2 0.51 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 64.519999999999996 109.339 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -33.79 4.31 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.459 1.768 . . . . 74.420000000000002 111.059 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.456 ' CE ' HG21 ' A' ' 78' ' ' THR . 0.1 OUTLIER -58.69 -29.58 66.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 72.430000000000007 109.317 179.889 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.57 -58.68 2.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 74.439999999999998 109.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -42.4 -31.83 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 73.430000000000007 111.032 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.2 mt -142.75 90.33 7.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 74.530000000000001 109.278 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 116.62 4.64 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.575 1.829 . . . . 75.430000000000007 110.992 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.75 -8.15 31.86 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 64.010000000000005 111.013 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.456 HG21 ' CE ' ' A' ' 72' ' ' LYS . 2.1 t -51.45 171.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 74.510000000000005 110.392 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt -96.73 -15.79 21.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 71.340000000000003 109.324 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 38.6 mmm -44.49 99.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 75.049999999999997 110.999 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.8 mp -64.78 -19.24 25.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 73.129999999999995 109.362 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -45.69 168.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 74.409999999999997 110.967 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.6 m -117.17 -44.3 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 72.200000000000003 109.307 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.67 -179.2 17.84 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.131 . . . . 73.519999999999996 111.009 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.7 mt -132.07 148.67 32.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.557 0.798 . . . . 73.430000000000007 109.327 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -104.01 -37.42 7.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 74.439999999999998 109.296 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.82 108.11 9.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 74.420000000000002 109.287 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.57 -16.71 61.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 73.519999999999996 109.365 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -69.01 -51.9 34.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 73.439999999999998 110.263 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -58.73 -27.75 65.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 64.239999999999995 110.384 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 80.1 mtm-85 -69.86 -40.03 75.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 75.239999999999995 110.304 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 96' ' ' ALA . . . -65.63 -56.97 9.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 64.010000000000005 109.277 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -55.95 -39.69 72.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 75.329999999999998 109.328 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.9 -37.02 85.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 75.239999999999995 109.345 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 51.0 mt -83.88 -17.78 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 73.239999999999995 109.268 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 92' ' ' ALA . . . -73.84 -26.18 60.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.157 . . . . 72.299999999999997 109.307 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.557 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 5.6 t80 -97.38 -33.74 11.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 74.519999999999996 111.011 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 33.1 mt -74.48 -16.07 60.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 73.239999999999995 109.33 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.409 ' HD2' ' CG ' ' A' ' 61' ' ' GLU . 43.4 tttp -97.14 -15.78 20.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 74.099999999999994 109.309 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.9 tttp -105.89 -15.68 14.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 72.120000000000005 109.257 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -85.14 -45.71 11.79 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.528 1.142 . . . . 75.140000000000001 109.276 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.5 p -92.87 26.42 2.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.621 1.201 . . . . 73.420000000000002 110.458 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -133.58 15.67 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 74.0 109.339 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 74.299999999999997 110.319 179.928 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.014 -0.834 . . . . 61.299999999999997 111.014 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -61.52 127.71 32.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 74.519999999999996 109.299 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.1 m -78.14 -35.95 20.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.598 1.186 . . . . 75.340000000000003 109.327 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 7' ' ' LYS . 28.3 mt-10 -47.97 -58.63 4.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 73.120000000000005 110.27 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -49.13 -24.08 1.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 75.510000000000005 109.308 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.1 -24.85 15.67 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 72.040000000000006 111.004 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.561 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 0.7 OUTLIER -71.18 -61.17 1.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 75.299999999999997 109.29 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -53.18 -47.48 68.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 65.219999999999999 109.318 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.434 HG21 ' CE ' ' A' ' 13' ' ' LYS . 28.1 mt -60.67 -42.03 90.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 74.319999999999993 109.304 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -65.14 -16.94 64.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 73.319999999999993 111.013 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.3 mt -86.48 -61.16 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 74.439999999999998 109.296 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 44.2 mtt -59.06 -15.43 13.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 74.120000000000005 110.958 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.434 ' CE ' HG21 ' A' ' 9' ' ' ILE . 51.6 mttt -109.37 -42.76 4.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 74.310000000000002 109.272 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.82 77.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 71.230000000000004 108.271 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 p -109.37 131.25 55.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 63.310000000000002 110.013 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 38.92 47.22 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 73.530000000000001 110.344 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -137.79 -50.23 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 75.409999999999997 108.28 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.436 ' O ' ' CG2' ' A' ' 19' ' ' THR . 10.8 m-70 -103.57 -174.8 2.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 64.329999999999998 109.587 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.436 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 9.4 p -156.08 155.58 32.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 73.310000000000002 110.419 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.3 m -136.45 -47.66 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 75.129999999999995 109.288 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -68.6 151.16 47.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 64.120000000000005 110.291 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -54.64 -39.06 67.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 75.049999999999997 109.275 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.81 -25.9 69.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.465 1.103 . . . . 62.509999999999998 111.003 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.91 88.47 0.66 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.978 -0.849 . . . . 42.539999999999999 110.978 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -71.23 164.65 25.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 71.510000000000005 109.308 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -67.83 125.73 27.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.118 . . . . 74.519999999999996 109.624 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -123.43 -103.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 74.230000000000004 109.322 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.9 m -69.94 -39.93 75.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 72.129999999999995 110.427 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -130.81 176.01 19.15 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 73.329999999999998 110.985 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.478 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -74.98 151.02 39.11 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 64.109999999999999 111.044 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 32' ' ' LEU . 8.4 t-20 -75.61 158.95 31.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 72.230000000000004 109.313 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.4 ' N ' ' OD1' ' A' ' 31' ' ' ASN . 10.3 mt -128.61 98.9 5.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 75.230000000000004 109.283 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -118.41 -50.37 2.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 64.430000000000007 109.592 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.436 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -101.43 28.05 17.76 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.506 1.129 . . . . 75.209999999999994 110.965 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 tp -41.7 -73.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 74.120000000000005 109.308 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.563 ' CD1' ' HG3' ' A' ' 99' ' ' LYS . 52.9 m-85 -59.8 103.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 72.530000000000001 110.974 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.17 14.96 15.27 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.116 . . . . 54.109999999999999 110.998 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.436 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 19.3 ttp180 -137.7 137.99 38.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 74.230000000000004 110.315 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -77.32 -174.1 3.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 73.120000000000005 109.257 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.3 p -87.8 157.35 19.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 75.439999999999998 110.408 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.524 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 60.68 39.17 96.25 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.431 1.082 . . . . 62.5 111.028 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -103.52 27.55 7.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 74.219999999999999 110.289 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.464 ' CB ' ' OH ' ' A' ' 48' ' ' TYR . . . -110.44 98.88 38.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 73.209999999999994 109.304 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 0.19 9.2 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.534 1.807 . . . . 71.209999999999994 110.992 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.44 -14.33 26.02 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.098 . . . . 63.409999999999997 110.986 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.594 ' O ' ' CE1' ' A' ' 48' ' ' TYR . 15.7 t80 -152.31 102.52 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 0.752 . . . . 73.200000000000003 110.998 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.4 m -74.85 133.65 41.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 74.420000000000002 109.978 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.594 ' CE1' ' O ' ' A' ' 46' ' ' TYR . 3.1 m-30 -93.85 -168.31 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 74.5 111.019 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 p -70.82 -175.96 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 75.150000000000006 110.398 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.92 -3.35 54.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 65.450000000000003 109.319 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -95.82 -39.33 9.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 73.129999999999995 109.335 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -80.85 -41.35 23.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 72.120000000000005 109.322 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -63.74 -15.27 58.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 75.030000000000001 109.295 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -98.0 -8.98 26.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 73.209999999999994 109.299 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -77.05 57.23 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 71.129999999999995 109.31 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.457 ' O ' ' CG2' ' A' ' 57' ' ' ILE . . . -62.77 85.93 0.05 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 74.099999999999994 110.992 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.457 ' CG2' ' O ' ' A' ' 56' ' ' GLY . 2.4 pp -154.98 146.04 13.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.776 . . . . 74.010000000000005 109.298 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.6 mm -76.86 151.24 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 74.329999999999998 109.319 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.532 ' CZ2' HAA2 ' A' ' 500' ' ' HEC . 19.1 m95 -97.69 87.9 4.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 75.239999999999995 108.034 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -107.34 -176.88 22.65 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 64.519999999999996 111.007 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -77.93 -13.84 59.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 0.742 . . . . 71.140000000000001 110.344 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -88.96 -30.64 18.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 64.109999999999999 109.266 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 64' ' ' LEU . 63.1 p -91.06 -54.83 3.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 73.219999999999999 110.411 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 63' ' ' THR . 27.8 mt -40.63 -40.89 1.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 75.519999999999996 109.303 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.499 ' CE ' ' CB ' ' A' ' 91' ' ' ARG . 2.5 tpt -53.54 -68.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 75.319999999999993 110.958 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.05 -60.94 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 74.209999999999994 110.265 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.528 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 81.4 t80 -48.21 -41.19 26.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 73.530000000000001 111.012 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.452 HD11 ' CG1' ' A' ' 95' ' ' ILE . 18.5 mt -63.05 -33.36 75.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 71.439999999999998 109.338 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.406 ' HB2' ' NH1' ' A' ' 91' ' ' ARG . 33.6 tt0 -71.38 -39.27 71.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 72.120000000000005 110.311 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -163.06 83.91 1.45 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 64.519999999999996 109.291 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.528 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.02 -30.73 6.82 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.801 . . . . 74.420000000000002 111.024 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -51.62 -53.47 38.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 72.430000000000007 109.311 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -38.81 83.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 74.439999999999998 109.285 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -53.13 -32.04 45.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 73.430000000000007 110.981 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.5 mt -146.84 89.9 5.59 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 74.530000000000001 109.316 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 143.84 29.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.508 1.794 . . . . 75.430000000000007 110.993 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.47 23.84 74.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.554 1.159 . . . . 64.010000000000005 111.031 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.459 ' OG1' ' CGD' ' A' ' 500' ' ' HEC . 5.5 t -84.6 -179.66 7.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 74.510000000000005 110.441 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.45 -28.8 12.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 71.340000000000003 109.273 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.419 ' N ' ' O2D' ' A' ' 500' ' ' HEC . 8.0 ttt -63.3 132.85 52.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 75.049999999999997 110.997 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.8 mt -112.41 128.59 68.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 73.129999999999995 109.294 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -163.48 155.93 18.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 74.409999999999997 111.033 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.5 m -98.37 -35.44 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 72.200000000000003 109.304 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 118.12 176.9 17.05 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.439 1.087 . . . . 73.519999999999996 110.999 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 14.4 mt -127.13 142.3 43.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 73.430000000000007 109.319 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -90.88 -67.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 74.439999999999998 109.337 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -51.98 133.26 32.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 74.420000000000002 109.309 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -83.68 -23.71 31.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 73.519999999999996 109.318 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.7 mp0 -70.79 -48.09 56.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 73.439999999999998 110.333 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.78 -25.26 54.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 64.239999999999995 110.328 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.499 ' CB ' ' CE ' ' A' ' 65' ' ' MET . 48.6 mtm180 -81.41 -37.31 28.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 75.239999999999995 110.295 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 96' ' ' ALA . . . -59.96 -59.25 5.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 64.010000000000005 109.279 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -54.19 -32.9 56.85 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 75.329999999999998 109.325 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.16 -42.83 96.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 75.239999999999995 109.333 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.452 ' CG1' HD11 ' A' ' 68' ' ' LEU . 21.5 mt -83.08 -15.77 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 73.239999999999995 109.311 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 92' ' ' ALA . . . -77.08 -24.61 51.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 72.299999999999997 109.287 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.561 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 3.3 t80 -96.18 -47.73 5.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 74.519999999999996 110.976 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.483 ' O ' ' CG2' ' A' ' 102' ' ' THR . 24.3 mt -53.07 -28.96 27.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 73.239999999999995 109.318 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.563 ' HG3' ' CD1' ' A' ' 36' ' ' PHE . 76.7 tttt -72.17 -44.39 63.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 74.099999999999994 109.326 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -78.17 -15.02 59.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 72.120000000000005 109.334 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -85.8 -38.78 17.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 75.140000000000001 109.333 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 98' ' ' LEU . 57.1 p -79.73 -49.58 11.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 73.420000000000002 110.424 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -47.09 -54.98 9.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 74.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 74.299999999999997 110.241 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.532 HAA2 ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.021 -0.832 . . . . 61.299999999999997 111.021 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -51.49 118.68 3.48 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.485 0.756 . . . . 74.519999999999996 109.316 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.0 OUTLIER -78.72 -39.1 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 75.340000000000003 109.283 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 7' ' ' LYS . 7.1 mm-40 -48.79 -57.11 6.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 73.120000000000005 110.317 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.496 ' O ' ' CD1' ' A' ' 9' ' ' ILE . 4.6 mptp? -48.46 -24.46 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 75.510000000000005 109.372 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 10' ' ' PHE . . . -96.61 -24.9 12.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 72.040000000000006 111.057 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.574 ' CD ' ' CZ ' ' A' ' 97' ' ' TYR . 12.4 tptm -63.9 -37.76 88.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 0.814 . . . . 75.299999999999997 109.324 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.542 ' N ' ' CD ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -77.77 -52.53 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 65.219999999999999 109.27 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 5' ' ' LYS . 42.8 mt -60.09 -25.28 32.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 74.319999999999993 109.291 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.498 ' CB ' ' O ' ' A' ' 6' ' ' GLY . 10.1 t80 -66.4 -30.79 71.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 73.319999999999993 110.982 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.6 mt -81.66 -70.56 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 74.439999999999998 109.418 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 12.4 mmt -39.38 -31.36 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 74.120000000000005 111.018 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -98.25 -38.8 9.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 74.310000000000002 109.36 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.9 OUTLIER -133.23 80.95 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 71.230000000000004 108.244 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.0 p -82.07 -86.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 63.310000000000002 110.021 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -112.9 59.21 0.65 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.596 1.185 . . . . 73.530000000000001 110.334 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.401 ' O ' ' OG1' ' A' ' 28' ' ' THR . 1.3 m -131.93 -50.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 75.409999999999997 108.278 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -112.19 167.15 10.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 64.329999999999998 109.579 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.1 p -136.26 173.85 11.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 73.310000000000002 110.408 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.1 m -138.2 -51.25 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 75.129999999999995 109.276 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -38.91 114.33 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.174 . . . . 64.120000000000005 110.356 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.2 -44.38 22.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 75.049999999999997 109.289 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.3 48.78 4.09 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.461 1.101 . . . . 62.509999999999998 110.995 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -117.34 -175.32 17.22 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.985 -0.846 . . . . 42.539999999999999 110.985 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -123.11 174.45 7.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 0.791 . . . . 71.510000000000005 109.294 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -106.1 131.02 53.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 74.519999999999996 109.582 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -117.64 -99.46 0.44 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.551 1.157 . . . . 74.230000000000004 109.303 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 17' ' ' CYS . 16.4 p -74.39 -35.46 63.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 72.129999999999995 110.461 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.49 172.95 22.53 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.49 1.119 . . . . 73.329999999999998 111.031 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.517 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -75.0 147.61 34.13 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.403 1.739 . . . . 64.109999999999999 111.042 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' A' ' 32' ' ' LEU . 7.2 t-20 -63.64 168.41 4.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 72.230000000000004 109.299 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.403 ' N ' ' OD1' ' A' ' 31' ' ' ASN . 8.8 mp -117.89 86.1 2.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 75.230000000000004 109.298 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -119.44 -56.36 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 64.430000000000007 109.62 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.09 25.39 27.98 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 75.209999999999994 110.97 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.0 tp -40.48 -74.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 74.120000000000005 109.299 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.535 ' CE1' ' HB2' ' A' ' 99' ' ' LYS . 58.1 m-85 -63.83 95.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 72.530000000000001 110.933 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.66 31.85 2.05 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.433 1.083 . . . . 54.109999999999999 111.005 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -142.39 108.24 5.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 0.737 . . . . 74.230000000000004 110.337 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.58 177.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.595 1.184 . . . . 73.120000000000005 109.277 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.0 p -77.08 162.35 27.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 75.439999999999998 110.446 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.528 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 41.2 56.59 3.29 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.517 1.136 . . . . 62.5 111.035 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 43' ' ' ALA . 41.9 mm-40 -112.27 -29.46 7.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 0.756 . . . . 74.219999999999999 110.294 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.415 ' CB ' ' OH ' ' A' ' 48' ' ' TYR . . . -39.44 99.85 0.2 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 73.209999999999994 109.264 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.0 Cg_endo -75.05 61.2 5.66 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.52 1.8 . . . . 71.209999999999994 110.969 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -177.6 -47.38 0.07 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.527 1.142 . . . . 63.409999999999997 110.985 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -110.88 123.75 50.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 0.722 . . . . 73.200000000000003 110.955 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.9 p -96.22 139.87 31.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 74.420000000000002 109.923 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.528 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 1.8 m-30 -96.36 -174.09 2.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 74.5 111.02 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.5 p -69.15 168.41 14.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 75.150000000000006 110.395 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.84 -15.46 61.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 65.450000000000003 109.231 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.87 -25.82 32.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.387 1.054 . . . . 73.129999999999995 109.242 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -90.58 -62.37 1.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.603 1.189 . . . . 72.120000000000005 109.361 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -40.79 -29.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 75.030000000000001 109.293 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.449 ' N ' ' C ' ' A' ' 52' ' ' ASN . 3.1 t-20 -62.5 -53.78 49.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 73.209999999999994 109.324 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' ASN . 7.1 tptt -40.52 145.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 71.129999999999995 109.339 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.29 78.87 0.27 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.463 1.102 . . . . 74.099999999999994 110.99 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.9 pp -149.88 172.52 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.742 . . . . 74.010000000000005 109.268 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.2 mm -104.58 148.43 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 74.329999999999998 109.315 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.494 ' CE3' HD22 ' A' ' 64' ' ' LEU . 80.2 m95 -93.14 146.82 23.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 75.239999999999995 108.021 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.422 ' O ' ' CD1' ' A' ' 64' ' ' LEU . . . -165.45 -145.56 4.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.122 . . . . 64.519999999999996 111.044 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -86.98 -47.18 9.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 0.747 . . . . 71.140000000000001 110.336 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -68.46 -64.13 0.92 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 64.109999999999999 109.294 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.8 p -41.2 -54.22 2.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 73.219999999999999 110.419 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.494 HD22 ' CE3' ' A' ' 59' ' ' TRP . 69.2 mt -59.25 -60.0 4.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 75.519999999999996 109.312 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.465 ' CE ' ' HB2' ' A' ' 91' ' ' ARG . 30.0 tpp -43.13 -32.25 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 75.319999999999993 111.023 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -79.25 -39.24 33.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 74.209999999999994 110.303 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.604 ' CE1' ' CB ' ' A' ' 71' ' ' PRO . 12.2 t80 -64.79 -51.84 60.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 73.530000000000001 110.986 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -49.09 -44.95 42.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 71.439999999999998 109.319 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -49.12 -44.31 42.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 72.120000000000005 110.391 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -167.23 85.6 0.81 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 64.519999999999996 109.313 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.604 ' CB ' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.97 -0.67 10.23 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.423 1.749 . . . . 74.420000000000002 110.993 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -84.03 -30.18 26.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 72.430000000000007 109.273 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -84.86 -41.43 16.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 74.439999999999998 109.288 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -56.95 -37.88 72.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 73.430000000000007 111.034 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.7 mt -147.95 90.38 5.1 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 74.530000000000001 109.257 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 122.34 7.13 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 75.430000000000007 111.061 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.71 -12.19 35.38 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.477 1.11 . . . . 64.010000000000005 111.02 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.8 t -52.3 167.48 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 0.756 . . . . 74.510000000000005 110.38 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 81' ' ' ILE . 3.1 mtmp? -88.81 -17.37 29.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 71.340000000000003 109.348 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.475 ' HG2' ' C4D' ' A' ' 500' ' ' HEC . 15.1 mmm -52.94 88.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 75.049999999999997 111.011 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.469 ' CG2' ' O ' ' A' ' 81' ' ' ILE . 14.1 mm -72.01 72.5 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 73.129999999999995 109.354 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -140.51 156.39 46.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.091 . . . . 74.409999999999997 110.973 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.6 m -105.95 -29.42 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 72.200000000000003 109.32 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 122.98 -178.18 16.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 73.519999999999996 111.025 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 20.3 mt -114.89 140.31 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.769 . . . . 73.430000000000007 109.345 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.2 mttp -79.59 -69.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 74.439999999999998 109.359 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -56.61 109.15 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 74.420000000000002 109.293 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.72 -17.71 63.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 73.519999999999996 109.303 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -82.07 -15.83 52.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 73.439999999999998 110.271 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -82.86 -13.37 56.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 64.239999999999995 110.276 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.465 ' HB2' ' CE ' ' A' ' 65' ' ' MET . 23.3 mtt180 -96.51 -30.17 13.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 75.239999999999995 110.317 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.85 -21.29 62.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 64.010000000000005 109.338 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -92.99 -37.81 11.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 75.329999999999998 109.421 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.35 -40.53 81.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 75.239999999999995 109.29 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 50.0 mt -78.53 -19.4 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.082 . . . . 73.239999999999995 109.266 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.98 -38.54 61.62 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 72.299999999999997 109.292 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.574 ' CZ ' ' CD ' ' A' ' 7' ' ' LYS . 1.6 t80 -79.81 -44.65 20.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 74.519999999999996 110.908 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 17.8 mt -48.72 -49.93 35.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 73.239999999999995 109.353 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.535 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 57.5 tttm -56.34 -43.5 79.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 74.099999999999994 109.326 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -72.89 -19.07 61.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 72.120000000000005 109.291 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -79.03 -38.19 37.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 75.140000000000001 109.333 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.8 p -77.86 -45.77 23.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 73.420000000000002 110.461 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -41.04 -67.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 74.0 109.356 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 74.299999999999997 110.353 179.956 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.475 ' C4D' ' HG2' ' A' ' 80' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.994 -0.842 . . . . 61.299999999999997 110.994 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -48.28 118.02 2.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 0.757 . . . . 74.519999999999996 109.279 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.0 OUTLIER -79.08 -41.36 23.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 75.340000000000003 109.327 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.9 mp0 -45.28 -52.79 9.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 73.120000000000005 110.274 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.495 ' O ' ' CD1' ' A' ' 9' ' ' ILE . 1.8 mptp? -52.5 -32.44 40.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 75.510000000000005 109.322 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -88.76 -20.47 47.18 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.439 1.087 . . . . 72.040000000000006 110.97 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.572 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 9.1 ttpp -72.65 -33.02 66.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 0.758 . . . . 75.299999999999997 109.279 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -87.36 -25.34 23.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 65.219999999999999 109.305 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.495 ' CD1' ' O ' ' A' ' 5' ' ' LYS . 72.8 mt -83.37 -30.16 8.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 74.319999999999993 109.299 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.446 ' CE1' HD21 ' A' ' 98' ' ' LEU . 37.9 t80 -77.49 -23.48 50.3 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.463 1.102 . . . . 73.319999999999993 111.033 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.457 ' CD1' ' O ' ' A' ' 7' ' ' LYS . 64.5 mt -86.73 -55.47 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 74.439999999999998 109.298 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 20.1 mtm -57.38 -16.36 8.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 74.120000000000005 111.02 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -114.33 -36.61 4.6 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.443 1.089 . . . . 74.310000000000002 109.298 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -130.11 79.78 1.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 71.230000000000004 108.302 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 2.4 p -120.06 141.05 50.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 63.310000000000002 110.041 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 43.32 41.41 3.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 73.530000000000001 110.289 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.15 -49.76 0.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 75.409999999999997 108.27 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -100.77 -176.73 3.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 64.329999999999998 109.547 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.403 ' HB ' ' ND2' ' A' ' 31' ' ' ASN . 20.2 p -153.12 138.22 17.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 73.310000000000002 110.436 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.5 m -118.98 -42.98 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.384 1.052 . . . . 75.129999999999995 109.305 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -50.62 148.55 3.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 64.120000000000005 110.375 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -78.8 -42.84 26.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 75.049999999999997 109.234 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.25 55.86 4.55 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.517 1.136 . . . . 62.509999999999998 111.031 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -137.07 161.88 25.22 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.995 -0.842 . . . . 42.539999999999999 110.995 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -85.24 176.35 8.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 71.510000000000005 109.293 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -94.91 84.12 4.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 74.519999999999996 109.597 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 29' ' ' GLY . 21.8 mmmt -53.53 -175.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 74.230000000000004 109.252 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.9 m -38.83 -31.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 72.129999999999995 110.417 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -116.09 163.09 12.41 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 73.329999999999998 111.007 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 151.48 39.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 64.109999999999999 110.971 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 32' ' ' LEU . 26.9 t-20 -81.07 151.86 28.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 72.230000000000004 109.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.434 ' N ' ' OD1' ' A' ' 31' ' ' ASN . 0.2 OUTLIER -116.42 94.08 4.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 75.230000000000004 109.24 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -108.18 -53.5 2.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 64.430000000000007 109.57 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -102.15 25.14 28.82 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.108 . . . . 75.209999999999994 110.957 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.479 HD12 ' CD1' ' A' ' 59' ' ' TRP . 12.3 tp -40.53 -58.85 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.754 . . . . 74.120000000000005 109.279 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 99' ' ' LYS . 51.2 m-85 -79.53 81.39 5.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 72.530000000000001 111.103 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.98 -10.5 3.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.4 1.062 . . . . 54.109999999999999 111.026 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.409 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 36.8 ttm-85 -108.61 127.4 53.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 74.230000000000004 110.345 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.1 -171.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 73.120000000000005 109.296 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.457 HG21 ' CE2' ' A' ' 59' ' ' TRP . 2.3 p -104.51 111.4 24.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 75.439999999999998 110.332 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.45 44.84 2.45 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.528 1.143 . . . . 62.5 111.009 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.419 ' N ' ' CD ' ' A' ' 42' ' ' GLN . 3.0 mm100 -113.21 -17.56 12.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 0.78 . . . . 74.219999999999999 110.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.49 ' HB1' ' CZ ' ' A' ' 48' ' ' TYR . . . -39.52 99.9 0.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 73.209999999999994 109.307 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.5 Cg_endo -74.94 -0.15 9.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 71.209999999999994 110.958 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.09 -14.86 15.7 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.574 1.171 . . . . 63.409999999999997 111.041 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -165.46 124.58 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 73.200000000000003 110.978 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 57.8 m -94.51 141.63 28.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 74.420000000000002 110.01 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.592 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -95.08 -174.77 3.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 74.5 110.993 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.458 HG22 ' CD ' ' A' ' 79' ' ' LYS . 2.7 p -52.86 179.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 75.150000000000006 110.449 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.59 6.13 39.56 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.433 1.083 . . . . 65.450000000000003 109.292 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.62 -49.86 4.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.395 1.059 . . . . 73.129999999999995 109.31 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.71 -47.94 61.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 72.120000000000005 109.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -51.9 -30.92 26.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 75.030000000000001 109.296 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.43 -31.76 67.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 73.209999999999994 109.243 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.3 tptp -55.82 138.82 47.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 71.129999999999995 109.263 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.1 72.13 0.47 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 74.099999999999994 110.976 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.4 pp -151.29 142.72 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.78 . . . . 74.010000000000005 109.311 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.0 mm -79.26 126.47 39.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 74.329999999999998 109.239 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.479 ' CD1' HD12 ' A' ' 35' ' ' LEU . 21.2 m95 -61.68 148.21 43.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 75.239999999999995 107.96 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -157.18 -156.47 7.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 64.519999999999996 111.007 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.6 mp0 -83.78 -47.89 10.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 0.795 . . . . 71.140000000000001 110.315 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -65.11 -58.76 5.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 64.109999999999999 109.249 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.8 p -47.94 -38.8 17.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 73.219999999999999 110.364 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.434 HD22 ' CE3' ' A' ' 59' ' ' TRP . 29.4 mt -75.99 -32.54 59.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 75.519999999999996 109.311 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.9 tpt -53.66 -58.23 7.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 75.319999999999993 110.963 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -67.16 -51.07 58.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 74.209999999999994 110.304 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.518 ' HB2' ' CD2' ' A' ' 74' ' ' TYR . 56.3 t80 -49.9 -69.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 73.530000000000001 111.006 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -42.26 -51.23 4.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 71.439999999999998 109.279 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -47.81 -44.85 29.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 72.120000000000005 110.32 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -165.71 87.3 0.95 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 64.519999999999996 109.309 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.444 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.6 Cg_endo -74.93 -13.48 21.56 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.531 1.806 . . . . 74.420000000000002 110.993 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -64.51 -15.98 61.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 72.430000000000007 109.326 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.28 -33.68 7.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 74.439999999999998 109.262 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.518 ' CD2' ' HB2' ' A' ' 67' ' ' TYR . 2.1 t80 -66.65 -41.46 88.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 73.430000000000007 111.022 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.0 mt -134.92 86.19 33.17 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 74.530000000000001 109.342 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 109.03 2.85 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.559 1.821 . . . . 75.430000000000007 111.019 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 127.3 -17.14 6.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.486 1.116 . . . . 64.010000000000005 110.972 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.0 t -47.04 168.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 0.736 . . . . 74.510000000000005 110.386 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.458 ' CD ' HG22 ' A' ' 49' ' ' THR . 7.9 pttt -120.93 38.94 3.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 71.340000000000003 109.354 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.8 ttt -103.33 119.26 38.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 75.049999999999997 110.979 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.2 mm -81.17 113.47 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 73.129999999999995 109.235 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.467 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 7.3 t80 -170.16 165.5 9.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 74.409999999999997 111.002 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.416 HG23 ' N ' ' A' ' 84' ' ' GLY . 32.8 m -110.4 -44.21 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 72.200000000000003 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.467 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 118.1 161.09 11.81 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.46 1.1 . . . . 73.519999999999996 110.955 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.5 mt -102.61 163.79 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 73.430000000000007 109.326 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -110.28 -73.81 0.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 74.439999999999998 109.331 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -46.9 116.01 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 74.420000000000002 109.319 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? -60.91 -50.0 75.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 73.519999999999996 109.336 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -49.05 -41.75 36.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 73.439999999999998 110.319 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -56.1 -39.94 72.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 64.239999999999995 110.288 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 84.6 mtm-85 -66.59 -23.08 66.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 75.239999999999995 110.375 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 96' ' ' ALA . . . -74.01 -51.25 16.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 64.010000000000005 109.37 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 94' ' ' LEU . 1.3 p30 -57.85 -29.76 65.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 75.329999999999998 109.294 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.436 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 1.7 tt -80.8 -41.1 23.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.587 1.18 . . . . 75.239999999999995 109.377 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 61.1 mt -74.22 -16.42 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 73.239999999999995 109.329 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 92' ' ' ALA . . . -79.67 -30.57 41.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 72.299999999999997 109.285 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.572 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 3.2 t80 -88.59 -54.01 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 74.519999999999996 110.983 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.446 HD21 ' CE1' ' A' ' 10' ' ' PHE . 14.1 mt -48.78 -36.02 15.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 73.239999999999995 109.338 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 56.3 tttp -69.98 -40.61 75.26 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.43 1.081 . . . . 74.099999999999994 109.302 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -77.19 -15.03 59.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 72.120000000000005 109.32 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -84.56 -39.94 18.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 75.140000000000001 109.293 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.434 ' CG2' ' O ' ' A' ' 98' ' ' LEU . 51.9 p -79.29 -35.47 41.23 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 73.420000000000002 110.424 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -69.58 -60.84 2.06 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.089 . . . . 74.0 109.351 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 74.299999999999997 110.316 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.447 HMA3 ' CE2' ' A' ' 67' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.974 -0.85 . . . . 61.299999999999997 110.974 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -75.81 142.62 42.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 0.807 . . . . 74.519999999999996 109.347 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.0 OUTLIER -79.07 -36.97 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 75.340000000000003 109.288 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 7' ' ' LYS . 36.2 mt-10 -47.57 -58.1 4.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 73.120000000000005 110.313 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.491 ' O ' ' CD1' ' A' ' 9' ' ' ILE . 1.4 mptm? -49.11 -25.27 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 75.510000000000005 109.299 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 10' ' ' PHE . . . -94.33 -24.6 18.51 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.12 . . . . 72.040000000000006 110.973 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.571 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 25.5 tttt -74.97 -30.79 61.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 0.743 . . . . 75.299999999999997 109.345 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -83.96 -30.67 26.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 65.219999999999999 109.354 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' A' ' 5' ' ' LYS . 60.4 mt -84.76 -23.24 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 74.319999999999993 109.307 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.569 ' CE1' HG11 ' A' ' 20' ' ' VAL . 21.1 t80 -75.92 -20.6 57.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 73.319999999999993 111.013 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.424 ' O ' ' CB ' ' A' ' 15' ' ' SER . 63.0 mt -82.97 -62.89 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 74.439999999999998 109.266 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -20.25 13.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.152 . . . . 74.120000000000005 111.032 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 9' ' ' ILE . 5.3 mmpt? -103.95 -35.07 8.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 74.310000000000002 109.286 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -137.12 81.05 1.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 71.230000000000004 108.329 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 2.4 t -119.92 140.56 50.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 63.310000000000002 109.981 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 54.76 29.3 11.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 73.530000000000001 110.312 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.0 m -133.18 -57.73 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 75.409999999999997 108.329 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -103.11 161.37 13.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 64.329999999999998 109.616 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.53 ' HG1' ' ND2' ' A' ' 31' ' ' ASN . 72.7 p -119.35 -39.59 2.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 73.310000000000002 110.343 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.569 HG11 ' CE1' ' A' ' 10' ' ' PHE . 9.3 m 49.26 27.33 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.075 . . . . 75.129999999999995 109.26 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.442 ' CG ' ' HB ' ' A' ' 19' ' ' THR . 2.8 pt-20 -129.84 126.29 37.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 64.120000000000005 110.272 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 22' ' ' LYS . 18.4 pttm -76.78 103.08 6.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.085 . . . . 75.049999999999997 109.345 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.93 -25.19 2.68 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.429 1.081 . . . . 62.509999999999998 111.012 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.74 157.31 47.22 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.053 -0.819 . . . . 42.539999999999999 111.053 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.25 173.65 7.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.452 0.737 . . . . 71.510000000000005 109.313 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -89.86 75.6 7.25 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.559 1.162 . . . . 74.519999999999996 109.564 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.434 ' C ' ' N ' ' A' ' 29' ' ' GLY . 12.5 mtmt -53.27 -175.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.599 1.187 . . . . 74.230000000000004 109.231 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 m -38.79 -29.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 72.129999999999995 110.434 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.434 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . -115.53 159.42 13.81 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 73.329999999999998 110.985 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 149.47 36.99 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.525 1.803 . . . . 64.109999999999999 111.054 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.53 ' ND2' ' HG1' ' A' ' 19' ' ' THR . 3.7 t-20 -76.13 164.18 26.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 72.230000000000004 109.261 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.465 ' CD2' ' N ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -128.93 100.62 5.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 75.230000000000004 109.302 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.494 ' O ' ' CA ' ' A' ' 102' ' ' THR . 8.5 t-160 -111.55 -71.46 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 64.430000000000007 109.615 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 35' ' ' LEU . . . -102.09 28.06 17.6 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.499 1.125 . . . . 75.209999999999994 110.964 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.436 HD13 ' CG ' ' A' ' 59' ' ' TRP . 3.9 tp -40.51 -46.89 2.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 74.120000000000005 109.333 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 99' ' ' LYS . 9.4 m-85 -78.03 82.35 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 72.530000000000001 111.009 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.18 -12.62 3.05 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.484 1.115 . . . . 54.109999999999999 111.001 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.406 ' CD ' ' HA ' ' A' ' 35' ' ' LEU . 8.6 ptp180 -97.11 152.16 19.06 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.516 0.774 . . . . 74.230000000000004 110.279 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -80.99 170.19 16.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 73.120000000000005 109.34 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.2 p -76.18 109.76 10.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 75.439999999999998 110.418 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.443 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 88.64 50.17 3.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 62.5 110.998 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 43' ' ' ALA . 46.6 mm-40 -114.15 -14.56 12.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 0.742 . . . . 74.219999999999999 110.319 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.506 ' HB1' ' CZ ' ' A' ' 48' ' ' TYR . . . -39.59 99.97 0.21 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 73.209999999999994 109.265 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.4 Cg_endo -75.0 73.24 4.39 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 71.209999999999994 111.015 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.48 -49.74 0.2 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.532 1.145 . . . . 63.409999999999997 110.935 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -121.94 81.97 1.89 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.476 0.75 . . . . 73.200000000000003 111.058 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.4 p -55.85 130.17 42.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 74.420000000000002 110.042 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.506 ' CZ ' ' HB1' ' A' ' 43' ' ' ALA . 6.3 m-30 -80.32 -175.02 4.89 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.481 1.113 . . . . 74.5 110.955 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 36.7 p -72.38 -179.46 2.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 75.150000000000006 110.367 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.19 12.58 13.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 65.450000000000003 109.326 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.449 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -96.61 -38.9 9.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 73.129999999999995 109.324 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.499 ' OD1' ' CD1' ' A' ' 75' ' ' ILE . 2.2 t30 -100.75 -19.53 15.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 72.120000000000005 109.332 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.0 tttp -76.41 -29.26 57.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 75.030000000000001 109.273 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 14.3 p30 -71.98 -27.01 62.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 73.209999999999994 109.344 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.464 ' HE3' ' CE1' ' A' ' 74' ' ' TYR . 13.1 mmtt -55.56 156.68 4.49 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 71.129999999999995 109.32 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -138.19 16.75 3.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 74.099999999999994 110.941 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.486 ' CD1' ' OH ' ' A' ' 74' ' ' TYR . 2.2 pp -90.55 178.98 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.433 0.725 . . . . 74.010000000000005 109.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 30.7 mm -116.12 134.26 60.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 74.329999999999998 109.357 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.436 ' CG ' HD13 ' A' ' 35' ' ' LEU . 28.4 m95 -72.75 89.89 1.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 75.239999999999995 107.981 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -116.37 -147.88 8.92 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 64.519999999999996 111.075 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -89.56 -59.68 2.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 71.140000000000001 110.288 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -50.57 -44.23 56.64 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.525 1.14 . . . . 64.109999999999999 109.269 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.7 p -65.0 -58.46 6.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 73.219999999999999 110.358 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.7 mt -42.87 -47.86 5.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 75.519999999999996 109.32 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.425 ' CE ' ' HB3' ' A' ' 91' ' ' ARG . 2.6 tpt -46.36 -68.27 0.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 75.319999999999993 110.973 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 69' ' ' GLU . 2.0 tp10 -43.42 -57.85 2.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.085 . . . . 74.209999999999994 110.27 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.502 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 2.5 t80 -48.39 -42.84 33.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 73.530000000000001 111.025 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 64.3 mt -65.32 -28.21 69.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 71.439999999999998 109.31 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 66' ' ' GLU . 23.8 tt0 -78.52 -35.93 45.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 72.120000000000005 110.248 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -164.52 82.5 1.27 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 64.519999999999996 109.333 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.502 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.1 Cg_endo -74.97 -10.64 21.35 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.456 1.766 . . . . 74.420000000000002 110.981 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.08 -47.69 19.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 72.430000000000007 109.299 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.4 ttmt -65.63 -44.46 86.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 74.439999999999998 109.25 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.486 ' OH ' ' CD1' ' A' ' 57' ' ' ILE . 1.6 t80 -48.17 -51.37 25.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 73.430000000000007 110.947 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.499 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 5.8 mt -135.65 90.33 20.01 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.451 1.094 . . . . 74.530000000000001 109.369 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 98.69 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.518 1.799 . . . . 75.430000000000007 111.036 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 133.82 -16.54 4.49 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.543 1.152 . . . . 64.010000000000005 110.945 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.2 t -44.08 164.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 0.802 . . . . 74.510000000000005 110.445 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? -93.99 17.26 12.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 71.340000000000003 109.255 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.436 ' CE ' ' OH ' ' A' ' 67' ' ' TYR . 11.2 tpp -76.06 144.81 40.55 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.585 1.178 . . . . 75.049999999999997 110.91 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.3 mt -118.33 74.5 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 73.129999999999995 109.317 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -155.35 173.95 15.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 74.409999999999997 110.971 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.2 m -118.64 -45.72 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 72.200000000000003 109.231 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 138.67 162.65 9.25 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 73.519999999999996 111.002 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.8 mt -103.81 152.11 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.411 0.712 . . . . 73.430000000000007 109.284 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.6 tptp -95.07 -75.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 74.439999999999998 109.316 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -40.56 141.55 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 74.420000000000002 109.352 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -78.04 -42.64 31.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 73.519999999999996 109.338 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -55.95 -60.79 2.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 73.439999999999998 110.308 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.65 -38.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 64.239999999999995 110.25 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.425 ' HB3' ' CE ' ' A' ' 65' ' ' MET . 52.6 mtm180 -74.05 -54.9 6.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 75.239999999999995 110.312 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -48.8 -58.76 4.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 64.010000000000005 109.276 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 96' ' ' ALA . 71.9 m-20 -50.59 -56.77 10.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 75.329999999999998 109.293 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.4 tp -48.85 -34.79 13.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 75.239999999999995 109.284 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 43.2 mt -75.67 -34.88 29.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 73.239999999999995 109.314 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -57.34 -24.6 56.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 72.299999999999997 109.395 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.571 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 1.2 t80 -97.96 -37.97 9.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 74.519999999999996 111.028 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.439 HD11 ' CMB' ' A' ' 500' ' ' HEC . 15.3 mt -72.22 -15.23 61.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 73.239999999999995 109.352 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 66.2 tttt -96.04 -22.32 17.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.593 1.183 . . . . 74.099999999999994 109.222 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.431 ' CE ' HG13 ' A' ' 3' ' ' VAL . 18.5 ttpp -98.02 -18.81 18.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 72.120000000000005 109.268 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.479 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -79.71 -29.14 40.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 75.140000000000001 109.315 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.494 ' CA ' ' O ' ' A' ' 33' ' ' HIS . 46.2 p -104.04 33.1 3.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.404 1.065 . . . . 73.420000000000002 110.45 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -124.07 -50.67 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 74.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 74.299999999999997 110.342 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.439 ' CMB' HD11 ' A' ' 98' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.012 -0.835 . . . . 61.299999999999997 111.012 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -50.76 169.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 74.519999999999996 109.326 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -117.28 -52.12 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 75.340000000000003 109.262 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -40.56 -44.97 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 73.120000000000005 110.289 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.49 ' O ' ' CD1' ' A' ' 9' ' ' ILE . 2.7 mmmp? -55.77 -47.05 77.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 75.510000000000005 109.297 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.479 ' O ' ' CB ' ' A' ' 10' ' ' PHE . . . -79.02 -12.65 83.88 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.524 1.14 . . . . 72.040000000000006 111.001 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.573 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 16.5 tptm -72.91 -72.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 75.299999999999997 109.284 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -52.36 -36.05 52.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 65.219999999999999 109.304 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 5' ' ' LYS . 96.7 mt -66.91 -43.61 89.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 74.319999999999993 109.312 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.64 ' CE1' ' CD2' ' A' ' 98' ' ' LEU . 29.9 t80 -66.95 -27.51 67.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 73.319999999999993 110.997 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.462 ' CG2' ' HB2' ' A' ' 15' ' ' SER . 48.2 mt -82.83 -70.24 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 74.439999999999998 109.328 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.4 mmt -42.19 -27.08 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 74.120000000000005 110.994 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -101.69 -37.38 8.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 74.310000000000002 109.294 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -133.03 82.95 2.02 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.156 . . . . 71.230000000000004 108.284 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.462 ' HB2' ' CG2' ' A' ' 11' ' ' ILE . 42.8 t -123.32 150.26 43.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 63.310000000000002 110.035 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 41.47 36.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 73.530000000000001 110.325 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.87 -61.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 75.409999999999997 108.3 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -88.21 -178.34 5.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 64.329999999999998 109.618 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 p -146.53 143.39 28.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.153 . . . . 73.310000000000002 110.331 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.0 m -124.61 -44.48 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 75.129999999999995 109.373 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -52.97 152.53 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 64.120000000000005 110.29 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -88.02 -17.98 29.98 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.563 1.164 . . . . 75.049999999999997 109.331 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.28 42.41 1.93 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.565 1.166 . . . . 62.509999999999998 110.975 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -131.01 162.23 23.54 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.955 -0.858 . . . . 42.539999999999999 110.955 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.1 pttm -88.56 -175.77 5.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 0.785 . . . . 71.510000000000005 109.276 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -94.11 79.22 4.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 74.519999999999996 109.55 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.41 ' C ' ' N ' ' A' ' 29' ' ' GLY . 16.5 mtpt -53.93 -174.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 74.230000000000004 109.285 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.7 m -39.33 -30.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 72.129999999999995 110.427 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.41 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . -120.28 157.35 15.74 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.517 1.135 . . . . 73.329999999999998 110.965 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 151.78 39.86 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.497 1.788 . . . . 64.109999999999999 111.002 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -71.83 136.64 47.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 72.230000000000004 109.281 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 35' ' ' LEU . 1.0 OUTLIER -77.7 -13.64 59.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 75.230000000000004 109.301 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 32' ' ' LEU . 6.8 t-80 -39.98 -37.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 64.430000000000007 109.649 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -100.83 47.92 1.19 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 75.209999999999994 110.997 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.472 HD21 ' CE1' ' A' ' 36' ' ' PHE . 14.2 tp -95.33 -75.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 0.736 . . . . 74.120000000000005 109.295 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.545 ' CE1' ' HG3' ' A' ' 99' ' ' LYS . 68.8 m-85 -68.38 118.96 12.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 72.530000000000001 111.008 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.13 16.8 36.79 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.482 1.113 . . . . 54.109999999999999 111.051 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.1 ttm-85 -139.54 159.0 43.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 0.749 . . . . 74.230000000000004 110.299 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -96.73 -174.23 2.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 73.120000000000005 109.26 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.0 p -88.29 132.32 34.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 75.439999999999998 110.345 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.95 48.26 12.01 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.388 1.055 . . . . 62.5 111.014 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 43' ' ' ALA . 79.6 mm-40 -110.34 -35.61 6.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 0.756 . . . . 74.219999999999999 110.304 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.508 ' HB2' ' CZ ' ' A' ' 48' ' ' TYR . . . -39.57 99.9 0.2 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 73.209999999999994 109.203 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.4 Cg_endo -74.98 -7.0 18.78 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.495 1.787 . . . . 71.209999999999994 111.011 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -94.65 -4.97 61.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 63.409999999999997 110.947 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -168.24 111.34 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 73.200000000000003 110.987 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.8 p -79.63 121.52 25.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 74.420000000000002 109.986 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.508 ' CZ ' ' HB2' ' A' ' 43' ' ' ALA . 5.5 m-30 -74.18 -175.02 2.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 74.5 110.976 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.463 ' CG2' ' NZ ' ' A' ' 79' ' ' LYS . 7.0 p -70.56 175.57 4.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 75.150000000000006 110.383 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.16 -16.09 57.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 65.450000000000003 109.365 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.03 -27.74 57.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 73.129999999999995 109.315 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 55' ' ' LYS . 2.1 t30 -98.22 -47.73 5.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 72.120000000000005 109.322 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -44.1 -30.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 75.030000000000001 109.341 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -71.39 -49.87 37.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 73.209999999999994 109.316 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.3 OUTLIER -47.56 138.54 7.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.401 1.063 . . . . 71.129999999999995 109.267 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -141.5 73.68 0.37 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.53 1.144 . . . . 74.099999999999994 111.022 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.3 pp -142.02 159.77 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.753 . . . . 74.010000000000005 109.248 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.6 mm -85.79 152.96 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 74.329999999999998 109.28 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.426 ' CG ' HD13 ' A' ' 35' ' ' LEU . 38.6 m95 -96.67 96.68 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.972 -1.121 . . . . 75.239999999999995 107.972 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -108.35 -172.34 21.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 64.519999999999996 111.044 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.486 ' O ' ' CG ' ' A' ' 65' ' ' MET . 29.7 mt-10 -82.42 -15.3 53.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.777 . . . . 71.140000000000001 110.336 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -89.39 -42.52 11.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 64.109999999999999 109.35 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.0 p -73.76 -30.29 62.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 73.219999999999999 110.402 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.8 mt -79.83 -17.97 51.97 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.587 1.179 . . . . 75.519999999999996 109.303 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.486 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 2.9 mmt -77.11 -27.43 54.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 75.319999999999993 111.029 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -96.15 -34.71 11.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 74.209999999999994 110.293 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 4.0 t80 -66.14 -35.51 80.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 73.530000000000001 111.036 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.541 ' CD1' ' CD1' ' A' ' 95' ' ' ILE . 7.8 mt -67.5 -29.89 69.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 71.439999999999998 109.221 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -66.69 -40.44 88.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 72.120000000000005 110.318 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -163.95 79.62 1.5 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 64.519999999999996 109.348 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.01 -11.04 21.45 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.502 1.791 . . . . 74.420000000000002 110.997 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.439 ' HA ' ' CE ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER -67.89 -15.87 63.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 72.430000000000007 109.341 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.95 -53.67 2.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 74.439999999999998 109.29 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.409 ' CD2' ' HB2' ' A' ' 67' ' ' TYR . 1.8 t80 -42.08 -32.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 73.430000000000007 111.035 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.3 mm -134.98 89.93 23.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 74.530000000000001 109.284 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 104.55 1.92 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.443 1.76 . . . . 75.430000000000007 110.957 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.02 43.46 1.64 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.551 1.157 . . . . 64.010000000000005 111.023 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.3 t -102.67 157.25 17.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 74.510000000000005 110.388 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.463 ' NZ ' ' CG2' ' A' ' 49' ' ' THR . 27.8 mttm -77.67 -16.5 58.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.417 1.073 . . . . 71.340000000000003 109.312 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 45.0 mmm -42.87 148.33 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 75.049999999999997 111.049 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.6 mm -132.59 52.89 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 73.129999999999995 109.325 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.504 ' CE1' ' CBB' ' A' ' 500' ' ' HEC . 10.2 t80 -109.99 177.84 4.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.12 . . . . 74.409999999999997 110.985 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.2 m -123.43 -45.17 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 72.200000000000003 109.259 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 131.57 162.69 10.6 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.498 1.124 . . . . 73.519999999999996 110.994 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 82.4 mt -116.31 144.07 24.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.554 0.796 . . . . 73.430000000000007 109.316 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -92.79 -38.56 11.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 74.439999999999998 109.358 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -73.75 126.64 30.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 74.420000000000002 109.338 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -75.54 -37.26 60.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 73.519999999999996 109.238 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -60.06 -52.66 64.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 73.439999999999998 110.319 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -48.78 -37.37 18.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 64.239999999999995 110.293 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.461 ' HB3' ' CE ' ' A' ' 65' ' ' MET . 58.3 mtm180 -71.53 -39.58 70.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 75.239999999999995 110.328 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.14 -63.23 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.577 1.173 . . . . 64.010000000000005 109.345 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.68 -40.27 59.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 75.329999999999998 109.334 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.44 ' CD2' ' HB2' ' A' ' 10' ' ' PHE . 2.2 tm? -55.24 -59.64 4.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 75.239999999999995 109.321 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.541 ' CD1' ' CD1' ' A' ' 68' ' ' LEU . 16.6 mt -67.33 -15.84 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 73.239999999999995 109.302 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.42 -36.98 68.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 72.299999999999997 109.278 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.573 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 2.1 t80 -89.13 -48.13 7.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 74.519999999999996 111.006 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.64 ' CD2' ' CE1' ' A' ' 10' ' ' PHE . 15.1 mt -54.0 -23.75 14.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 73.239999999999995 109.281 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.545 ' HG3' ' CE1' ' A' ' 36' ' ' PHE . 56.2 tttm -82.23 -52.55 6.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 74.099999999999994 109.297 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -63.44 -18.23 63.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.425 1.078 . . . . 72.120000000000005 109.255 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -85.94 -29.59 23.46 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.537 1.148 . . . . 75.140000000000001 109.234 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 70.5 p -109.88 19.51 19.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 73.420000000000002 110.354 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -108.69 -31.72 7.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 74.0 109.353 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 74.299999999999997 110.242 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.504 ' CBB' ' CE1' ' A' ' 82' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.028 -0.829 . . . . 61.299999999999997 111.028 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.62 162.96 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 0.749 . . . . 74.519999999999996 109.27 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.544 HG21 ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -111.28 -41.42 4.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 75.340000000000003 109.309 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -49.87 -52.98 28.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 73.120000000000005 110.319 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -53.62 -23.65 11.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 75.510000000000005 109.318 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.17 -21.71 19.48 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.475 1.109 . . . . 72.040000000000006 110.917 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.562 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 18.1 ttpp -74.68 -22.1 59.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 75.299999999999997 109.322 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -86.98 -43.59 12.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 65.219999999999999 109.391 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.432 HD11 ' CG ' ' A' ' 90' ' ' GLU . 46.3 mt -73.49 -10.32 13.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 74.319999999999993 109.342 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.429 ' O ' ' CA ' ' A' ' 14' ' ' CYS . 11.5 t80 -87.49 -26.46 23.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 73.319999999999993 111.07 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.499 ' O ' ' CB ' ' A' ' 15' ' ' SER . 82.1 mt -84.05 -70.14 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 74.439999999999998 109.333 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.5 mtp -37.94 -30.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 74.120000000000005 110.989 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 11' ' ' ILE . 2.6 mttp -102.64 -62.22 1.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 74.310000000000002 109.271 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.429 ' CA ' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -98.22 65.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.589 1.181 . . . . 71.230000000000004 108.32 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.4 p -102.69 132.77 48.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 63.310000000000002 110.063 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 39.95 36.42 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 73.530000000000001 110.201 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.82 -47.03 1.39 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 75.409999999999997 108.292 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -106.79 175.12 5.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 64.329999999999998 109.571 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.6 p -146.98 144.57 29.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 73.310000000000002 110.417 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.8 m -126.37 -44.93 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 75.129999999999995 109.3 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' A' ' 24' ' ' GLY . 3.4 pt-20 -56.48 151.67 12.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 64.120000000000005 110.309 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -59.55 -45.31 92.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 75.049999999999997 109.29 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.26 -5.33 58.97 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.103 . . . . 62.509999999999998 111.003 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.42 ' N ' ' CG ' ' A' ' 21' ' ' GLU . . . -68.26 98.59 0.52 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.025 -0.83 . . . . 42.539999999999999 111.025 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.04 162.05 30.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 0.773 . . . . 71.510000000000005 109.291 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -81.67 133.8 35.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 74.519999999999996 109.625 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 mtmm -131.55 -103.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 74.230000000000004 109.284 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.7 m -72.3 -40.63 67.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.565 1.166 . . . . 72.129999999999995 110.449 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -127.83 165.07 21.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.587 1.179 . . . . 73.329999999999998 110.997 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 149.67 37.23 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.504 1.791 . . . . 64.109999999999999 111.017 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -72.49 147.45 46.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 72.230000000000004 109.278 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -116.29 93.88 4.41 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.556 1.16 . . . . 75.230000000000004 109.354 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -106.98 -46.11 4.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 64.430000000000007 109.573 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -102.06 25.57 27.35 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.41 1.069 . . . . 75.209999999999994 111.054 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.5 tp -40.45 -62.28 0.79 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.473 0.749 . . . . 74.120000000000005 109.345 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.649 ' CZ ' ' CB ' ' A' ' 99' ' ' LYS . 13.2 m-85 -79.5 94.38 5.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.069 . . . . 72.530000000000001 110.946 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.17 30.99 2.14 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.458 1.099 . . . . 54.109999999999999 110.969 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.445 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 33.9 ttp180 -144.67 162.65 36.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 0.791 . . . . 74.230000000000004 110.292 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.455 ' HD3' ' CD1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -94.83 -178.28 4.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 73.120000000000005 109.263 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.4 p -90.34 141.68 28.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 75.439999999999998 110.388 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.556 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 64.4 66.71 2.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.485 1.116 . . . . 62.5 110.952 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 43' ' ' ALA . 84.6 mm-40 -115.95 -36.12 4.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 74.219999999999999 110.294 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.453 ' CB ' ' OH ' ' A' ' 48' ' ' TYR . . . -39.51 99.91 0.2 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 73.209999999999994 109.307 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.6 Cg_endo -74.96 -0.41 9.92 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.463 1.77 . . . . 71.209999999999994 111.029 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.68 -6.11 35.57 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 63.409999999999997 110.992 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.494 ' O ' ' CE1' ' A' ' 48' ' ' TYR . 18.8 t80 -159.35 112.81 2.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 0.798 . . . . 73.200000000000003 110.987 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.8 p -90.28 139.69 30.41 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.466 1.104 . . . . 74.420000000000002 109.99 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.62 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -99.71 -175.14 2.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 74.5 111.038 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.7 p -55.3 176.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 75.150000000000006 110.394 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.68 12.58 14.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 65.450000000000003 109.336 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.67 -45.35 6.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 73.129999999999995 109.287 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.41 ' O ' ' N ' ' A' ' 55' ' ' LYS . 7.4 t30 -83.79 -47.19 11.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 72.120000000000005 109.288 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -46.44 -35.54 5.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 75.030000000000001 109.296 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -75.62 -39.55 57.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 73.209999999999994 109.331 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 52' ' ' ASN . 9.9 tptt -45.88 140.22 3.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 71.129999999999995 109.303 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.38 77.01 0.33 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.574 1.171 . . . . 74.099999999999994 111.016 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.4 pp -143.32 151.0 17.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 0.76 . . . . 74.010000000000005 109.321 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.455 ' CD1' ' HD3' ' A' ' 39' ' ' LYS . 2.3 mm -84.82 131.66 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.152 . . . . 74.329999999999998 109.224 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -77.08 153.9 33.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.546 1.154 . . . . 75.239999999999995 108.018 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.522 ' N ' ' HG1' ' A' ' 63' ' ' THR . . . -173.67 -148.75 6.58 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.44 1.088 . . . . 64.519999999999996 111.017 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 65' ' ' MET . 30.0 mt-10 -87.51 -58.18 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 0.783 . . . . 71.140000000000001 110.323 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -58.88 -45.4 90.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 64.109999999999999 109.275 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.522 ' HG1' ' N ' ' A' ' 60' ' ' GLY . 13.7 p -60.51 -27.87 67.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 73.219999999999999 110.419 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.408 ' CD1' ' O ' ' A' ' 60' ' ' GLY . 77.6 mt -92.85 -19.23 21.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 75.519999999999996 109.325 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 61' ' ' GLU . 2.4 tpt -68.43 -37.89 80.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 75.319999999999993 110.968 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -84.49 -38.54 19.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 74.209999999999994 110.273 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.531 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 8.0 t80 -60.06 -47.08 87.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 73.530000000000001 110.995 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 13.0 mt -56.52 -41.52 76.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 71.439999999999998 109.294 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -59.16 -43.1 92.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 72.120000000000005 110.315 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -163.63 88.64 1.2 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 64.519999999999996 109.305 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.531 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.7 Cg_endo -75.01 -7.25 18.98 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.506 1.793 . . . . 74.420000000000002 111.033 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -74.68 -47.85 29.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.086 . . . . 72.430000000000007 109.339 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -43.16 98.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 74.439999999999998 109.302 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -56.67 -52.29 65.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 73.430000000000007 111.056 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.7 mt -133.6 88.7 33.15 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 74.530000000000001 109.306 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 110.33 3.1 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.5 1.79 . . . . 75.430000000000007 111.004 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.55 -0.22 13.96 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.501 1.125 . . . . 64.010000000000005 111.025 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 t -61.08 166.41 3.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.788 . . . . 74.510000000000005 110.474 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.7 mtmm -95.69 15.75 19.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 71.340000000000003 109.282 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.533 ' CE ' ' NA ' ' A' ' 500' ' ' HEC . 3.5 tpp -76.53 94.68 3.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 75.049999999999997 111.051 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.429 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.6 mp -58.8 -17.71 11.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 73.129999999999995 109.314 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -53.54 169.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 74.409999999999997 110.971 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.6 m -120.18 -48.5 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 72.200000000000003 109.345 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.29 -179.07 19.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.527 1.142 . . . . 73.519999999999996 110.994 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 8.0 mt -119.68 157.8 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 73.430000000000007 109.328 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.93 -34.64 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 74.439999999999998 109.27 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.418 ' CB ' ' OE1' ' A' ' 90' ' ' GLU . 15.4 mmmt -84.12 111.44 19.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 74.420000000000002 109.319 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -17.24 64.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 73.519999999999996 109.297 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -79.52 -13.57 59.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 73.439999999999998 110.278 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.432 ' CG ' HD11 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -99.95 -11.29 20.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 64.239999999999995 110.264 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.8 mtm-85 -90.66 -32.48 16.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 75.239999999999995 110.29 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.404 ' N ' ' HE2' ' A' ' 65' ' ' MET . . . -76.64 -16.74 59.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 64.010000000000005 109.283 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -93.54 -48.16 6.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 75.329999999999998 109.292 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 48.7 tp -55.78 -34.12 64.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 75.239999999999995 109.292 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 80.7 mt -79.93 -40.13 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 73.239999999999995 109.281 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -55.57 -20.65 14.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 72.299999999999997 109.289 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.562 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -92.87 -58.46 2.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 74.519999999999996 111.013 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.5 mt -51.09 -30.74 16.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 73.239999999999995 109.289 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.649 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 11.9 pttp -69.13 -34.21 74.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.593 1.183 . . . . 74.099999999999994 109.368 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -89.08 -16.47 31.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 72.120000000000005 109.355 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.483 ' HB1' ' CE1' ' A' ' 97' ' ' TYR . . . -81.39 -40.12 23.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 75.140000000000001 109.347 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 68.2 p -81.63 -29.92 33.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 73.420000000000002 110.374 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -53.22 -55.33 25.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 74.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 74.299999999999997 110.333 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.533 ' NA ' ' CE ' ' A' ' 80' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.021 -0.832 . . . . 61.299999999999997 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -64.03 167.77 6.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 74.519999999999996 109.29 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -113.08 -51.34 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 75.340000000000003 109.312 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -41.42 -48.27 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 73.120000000000005 110.283 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -52.5 -43.72 65.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 75.510000000000005 109.331 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -81.77 -17.15 71.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.541 1.151 . . . . 72.040000000000006 110.959 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.572 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -80.9 -27.2 36.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 0.753 . . . . 75.299999999999997 109.266 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -85.76 -19.76 30.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 65.219999999999999 109.285 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.8 mt -95.34 -16.25 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 74.319999999999993 109.318 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.623 ' CE1' ' CG1' ' A' ' 20' ' ' VAL . 12.5 t80 -81.75 -28.2 33.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 73.319999999999993 111.013 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.497 ' O ' ' CB ' ' A' ' 15' ' ' SER . 74.6 mt -82.13 -75.07 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 74.439999999999998 109.289 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.94 -30.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 74.120000000000005 110.974 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' ILE . 9.4 mtpt -99.34 -66.96 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 74.310000000000002 109.282 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' CA ' ' O ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -92.18 62.28 4.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 71.230000000000004 108.213 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 0.5 OUTLIER -98.32 149.08 23.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.113 . . . . 63.310000000000002 110.029 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 38.99 34.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 73.530000000000001 110.332 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.4 m -137.84 -51.84 0.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 75.409999999999997 108.252 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -116.24 147.46 41.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.412 1.07 . . . . 64.329999999999998 109.544 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.498 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 4.5 p -112.26 -29.66 7.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 73.310000000000002 110.418 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.623 ' CG1' ' CE1' ' A' ' 10' ' ' PHE . 9.2 m 49.22 26.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 75.129999999999995 109.291 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -110.93 138.14 47.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 64.120000000000005 110.306 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -61.81 -33.07 73.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 75.049999999999997 109.293 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.31 -4.9 43.7 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.516 1.135 . . . . 62.509999999999998 111.034 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.52 176.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.995 -0.842 . . . . 42.539999999999999 110.995 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.415 ' HB3' ' NZ ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -122.52 163.53 19.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.544 0.79 . . . . 71.510000000000005 109.277 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.4 ' CD2' ' N ' ' A' ' 26' ' ' HIS . 3.6 m-70 -90.72 128.61 36.72 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.478 1.111 . . . . 74.519999999999996 109.621 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -125.38 -98.96 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.163 . . . . 74.230000000000004 109.296 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m -72.55 -28.59 62.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 72.129999999999995 110.405 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -143.35 -173.3 14.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.13 . . . . 73.329999999999998 111.038 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 151.16 39.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.52 1.8 . . . . 64.109999999999999 111.005 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -68.51 129.4 39.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 72.230000000000004 109.285 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.1 mp -86.84 78.4 9.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 75.230000000000004 109.326 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -114.32 -54.36 2.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 64.430000000000007 109.641 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.412 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -102.04 22.56 37.64 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.498 1.124 . . . . 75.209999999999994 111.067 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.4 ' HG ' ' N ' ' A' ' 36' ' ' PHE . 6.8 tp -42.11 -74.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 74.120000000000005 109.292 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.4 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 32.8 m-85 -62.96 111.05 1.99 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 72.530000000000001 110.978 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.96 38.39 4.64 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.519 1.137 . . . . 54.109999999999999 111.007 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.412 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 22.1 ttp180 -151.25 107.1 3.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.461 0.742 . . . . 74.230000000000004 110.336 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.99 167.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 73.120000000000005 109.309 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.1 p -77.11 151.78 35.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 75.439999999999998 110.409 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 52.58 57.83 12.89 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.559 1.162 . . . . 62.5 111.025 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 43' ' ' ALA . 38.8 mm-40 -111.49 -42.82 3.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 74.219999999999999 110.337 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.51 99.87 0.2 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 73.209999999999994 109.3 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -75.0 -6.76 18.46 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.484 1.781 . . . . 71.209999999999994 111.003 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -94.24 -30.15 8.98 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.441 1.088 . . . . 63.409999999999997 110.967 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.403 ' O ' ' CE1' ' A' ' 48' ' ' TYR . 23.1 t80 -140.09 108.8 5.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 0.744 . . . . 73.200000000000003 111.009 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.4 p -78.28 145.87 35.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 74.420000000000002 110.011 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.527 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 2.2 m-30 -97.7 -173.66 2.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 74.5 111.031 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.459 ' CG2' ' HG2' ' A' ' 79' ' ' LYS . 3.1 p -50.93 175.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 75.150000000000006 110.382 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.73 -15.58 32.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.579 1.174 . . . . 65.450000000000003 109.261 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.78 -30.1 18.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 73.129999999999995 109.255 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 55' ' ' LYS . 1.9 t30 -78.74 -50.91 10.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 72.120000000000005 109.319 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -44.42 -41.56 6.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 75.030000000000001 109.339 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -55.77 -45.97 78.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 73.209999999999994 109.328 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 52' ' ' ASN . 11.6 tptt -47.88 142.19 5.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 71.129999999999995 109.31 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.31 80.38 0.25 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.545 1.153 . . . . 74.099999999999994 110.983 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.8 pp -145.37 169.69 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 0.782 . . . . 74.010000000000005 109.28 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.9 mm -105.5 138.55 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 74.329999999999998 109.285 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -78.16 155.54 30.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 75.239999999999995 107.979 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -170.46 -158.73 14.87 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.541 1.15 . . . . 64.519999999999996 110.967 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -82.02 -37.8 25.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.76 . . . . 71.140000000000001 110.353 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -75.6 -59.71 2.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 64.109999999999999 109.285 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 72.5 p -47.74 -26.01 1.43 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 73.219999999999999 110.321 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.8 mt -87.26 -38.97 15.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 75.519999999999996 109.342 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.461 ' HE3' ' CD1' ' A' ' 95' ' ' ILE . 3.1 mmt -57.82 -15.83 9.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 75.319999999999993 110.934 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -107.98 -41.68 4.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 74.209999999999994 110.325 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 14.1 t80 -62.2 -54.38 41.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 73.530000000000001 110.999 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.5 mt -58.42 -27.87 64.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 71.439999999999998 109.307 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -69.75 -32.28 70.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 72.120000000000005 110.249 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 42.4 m-20 -171.31 81.51 0.51 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 64.519999999999996 109.26 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.567 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.04 0.09 9.34 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.497 1.788 . . . . 74.420000000000002 111.013 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.51 -16.36 30.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 72.430000000000007 109.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -102.66 -25.43 13.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 74.439999999999998 109.313 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -73.25 -48.88 31.16 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.459 1.099 . . . . 73.430000000000007 110.945 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.1 mt -128.96 86.81 56.35 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 74.530000000000001 109.342 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 105.06 2.01 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 75.430000000000007 111.024 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 131.91 -10.69 5.42 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.42 1.075 . . . . 64.010000000000005 111.018 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.0 t -65.39 179.34 0.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 0.779 . . . . 74.510000000000005 110.378 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.459 ' HG2' ' CG2' ' A' ' 49' ' ' THR . 1.6 pttt -121.66 26.89 8.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 71.340000000000003 109.314 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.537 ' CE ' ' NA ' ' A' ' 500' ' ' HEC . 1.9 tpp -72.31 73.44 0.97 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.503 1.127 . . . . 75.049999999999997 110.982 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.443 ' CG2' ' O ' ' A' ' 81' ' ' ILE . 13.6 mt -66.11 81.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 73.129999999999995 109.331 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.517 ' CZ ' ' O ' ' A' ' 83' ' ' VAL . 10.1 t80 -148.78 145.68 27.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 74.409999999999997 111.054 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.517 ' O ' ' CZ ' ' A' ' 82' ' ' PHE . 21.4 m -81.23 148.2 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.572 1.17 . . . . 72.200000000000003 109.342 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -79.08 160.08 46.01 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.498 1.124 . . . . 73.519999999999996 110.95 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.1 mt -107.75 155.55 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 73.430000000000007 109.317 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -113.73 -40.36 3.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 74.439999999999998 109.243 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -70.84 148.76 47.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 74.420000000000002 109.324 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.1 mmtm -90.71 -44.41 9.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 73.519999999999996 109.236 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -55.15 -46.32 75.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.6 1.188 . . . . 73.439999999999998 110.233 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.09 -30.26 61.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 64.239999999999995 110.358 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 49.0 mtm-85 -83.38 -30.09 27.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 75.239999999999995 110.282 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.41 -54.25 31.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 64.010000000000005 109.38 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 96' ' ' ALA . 0.9 OUTLIER -59.15 -56.02 27.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.627 1.204 . . . . 75.329999999999998 109.335 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.453 HD13 ' CD1' ' A' ' 98' ' ' LEU . 2.5 tm? -50.41 -28.47 8.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 75.239999999999995 109.353 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.461 ' CD1' ' HE3' ' A' ' 65' ' ' MET . 55.3 mt -86.86 -29.05 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.591 1.182 . . . . 73.239999999999995 109.348 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -68.86 -27.33 65.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 72.299999999999997 109.301 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.572 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 0.8 OUTLIER -95.21 -29.18 14.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.152 . . . . 74.519999999999996 111.005 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.455 HD13 ' CMB' ' A' ' 500' ' ' HEC . 10.9 mt -73.64 -42.52 61.3 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 73.239999999999995 109.275 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -72.96 -16.24 61.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 74.099999999999994 109.284 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -102.48 -15.76 16.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 72.120000000000005 109.246 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.44 -40.36 23.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 75.140000000000001 109.286 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.8 p -92.15 20.96 5.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.417 1.073 . . . . 73.420000000000002 110.415 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -127.42 -51.41 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 74.0 109.327 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 74.299999999999997 110.302 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.537 ' NA ' ' CE ' ' A' ' 80' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.016 -0.834 . . . . 61.299999999999997 111.016 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -41.83 153.53 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 0.764 . . . . 74.519999999999996 109.346 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.447 ' CG1' ' HA ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -112.23 -50.1 5.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 75.340000000000003 109.204 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 3' ' ' VAL . 29.1 mt-10 -38.41 -54.48 1.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 73.120000000000005 110.321 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.6 mmtp -47.12 -46.79 23.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 75.510000000000005 109.304 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.446 ' O ' ' CB ' ' A' ' 10' ' ' PHE . . . -74.91 -23.34 75.02 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 72.040000000000006 110.979 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.569 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 2.1 tppp? -71.84 -36.8 70.29 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.531 0.783 . . . . 75.299999999999997 109.311 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -79.93 -40.35 28.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 65.219999999999999 109.322 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.444 HG23 ' CE ' ' A' ' 13' ' ' LYS . 23.2 mt -69.02 -30.93 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 74.319999999999993 109.302 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.551 ' CE1' HG12 ' A' ' 20' ' ' VAL . 21.7 t80 -70.33 -17.04 63.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 73.319999999999993 111.032 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.449 ' O ' ' CB ' ' A' ' 15' ' ' SER . 56.8 mt -84.59 -58.96 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 74.439999999999998 109.277 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.4 mtt -63.99 -12.26 36.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 74.120000000000005 110.881 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.444 ' CE ' HG23 ' A' ' 9' ' ' ILE . 38.3 mttm -112.42 -34.1 5.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 74.310000000000002 109.284 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.496 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -134.39 78.12 1.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 71.230000000000004 108.375 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -115.06 147.64 39.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 63.310000000000002 110.036 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 39.22 38.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 73.530000000000001 110.345 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.3 m -137.04 -70.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 75.409999999999997 108.298 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.523 ' CE1' HD23 ' A' ' 32' ' ' LEU . 83.1 m-70 -91.42 159.54 15.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 64.329999999999998 109.629 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.489 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 6.6 p -113.11 -28.34 7.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 73.310000000000002 110.37 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.551 HG12 ' CE1' ' A' ' 10' ' ' PHE . 28.6 m 46.05 26.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.544 1.153 . . . . 75.129999999999995 109.359 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 19' ' ' THR . 5.3 mt-10 -110.5 136.03 50.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 64.120000000000005 110.277 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.1 tttp -57.71 -39.41 77.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 75.049999999999997 109.259 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.95 -4.09 51.51 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.566 1.166 . . . . 62.509999999999998 110.996 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -46.62 172.57 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.995 -0.842 . . . . 42.539999999999999 110.995 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.1 161.14 24.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.767 . . . . 71.510000000000005 109.341 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -76.62 119.94 21.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.446 1.091 . . . . 74.519999999999996 109.649 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.417 ' NZ ' HG21 ' A' ' 19' ' ' THR . 4.2 mtmm -107.79 -95.88 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 74.230000000000004 109.325 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.8 m -80.82 -31.27 35.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 72.129999999999995 110.413 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.89 -160.04 8.19 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.515 1.134 . . . . 73.329999999999998 111.032 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.487 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 18.5 Cg_endo -74.95 150.37 38.29 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.533 1.807 . . . . 64.109999999999999 111.031 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.406 ' ND2' ' HG1' ' A' ' 19' ' ' THR . 7.8 t-20 -72.34 131.46 42.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 72.230000000000004 109.349 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.523 HD23 ' CE1' ' A' ' 18' ' ' HIS . 1.9 mm? -87.39 81.01 7.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 75.230000000000004 109.246 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -119.36 -56.22 2.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 64.430000000000007 109.617 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.16 58.53 0.6 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.119 . . . . 75.209999999999994 110.972 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.1 tp -75.5 -74.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 74.120000000000005 109.238 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 99' ' ' LYS . 24.5 m-85 -67.86 120.72 14.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 72.530000000000001 111.03 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.48 30.27 8.75 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 54.109999999999999 110.969 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.3 ttp180 -148.72 158.31 44.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 0.766 . . . . 74.230000000000004 110.328 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.437 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 13.0 mtmt -90.16 -179.49 5.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 73.120000000000005 109.34 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.3 p -87.18 133.18 33.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 75.439999999999998 110.451 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.526 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 71.01 54.22 9.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.557 1.16 . . . . 62.5 110.976 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 43' ' ' ALA . 66.7 mm-40 -107.99 -23.41 12.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 0.709 . . . . 74.219999999999999 110.312 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.441 ' CB ' ' OH ' ' A' ' 48' ' ' TYR . . . -39.54 99.93 0.2 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 73.209999999999994 109.361 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.0 Cg_endo -75.01 58.06 4.78 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 71.209999999999994 110.936 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -176.0 -37.99 0.05 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 63.409999999999997 111.092 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -119.32 123.46 44.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.778 . . . . 73.200000000000003 111.021 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.9 p -101.25 130.9 47.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 74.420000000000002 109.986 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.629 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -91.76 -175.53 4.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 74.5 111.075 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.408 ' CG2' ' HE2' ' A' ' 79' ' ' LYS . 8.1 p -58.67 179.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 75.150000000000006 110.42 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.64 12.97 15.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 65.450000000000003 109.345 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.58 -47.93 5.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 73.129999999999995 109.327 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.481 ' OD1' ' CD1' ' A' ' 75' ' ' ILE . 3.2 t30 -85.01 -47.16 10.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 72.120000000000005 109.291 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -46.42 -49.45 18.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 75.030000000000001 109.318 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -60.7 -31.51 70.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 73.209999999999994 109.333 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' ASN . 26.4 tptt -56.04 143.16 33.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 71.129999999999995 109.257 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.34 80.91 0.24 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 74.099999999999994 110.946 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.48 ' CD1' ' OH ' ' A' ' 74' ' ' TYR . 2.5 pp -145.36 170.51 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 0.737 . . . . 74.010000000000005 109.336 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.437 ' CD1' ' HG3' ' A' ' 39' ' ' LYS . 3.7 mm -106.7 137.32 37.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.109 . . . . 74.329999999999998 109.276 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 66.0 m95 -80.22 149.47 30.43 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.989 -1.115 . . . . 75.239999999999995 107.989 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.495 ' O ' ' CD1' ' A' ' 64' ' ' LEU . . . -176.59 -165.46 32.2 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.469 1.105 . . . . 64.519999999999996 110.992 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -74.34 -33.29 63.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.796 . . . . 71.140000000000001 110.372 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.61 -55.19 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 64.109999999999999 109.309 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.6 p -59.77 -49.0 79.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 73.219999999999999 110.413 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 60' ' ' GLY . 22.2 mt -57.52 -52.38 65.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 75.519999999999996 109.247 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.3 mmt -49.89 -21.87 1.31 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 1.164 . . . . 75.319999999999993 111.052 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -99.55 -30.64 12.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 74.209999999999994 110.299 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.453 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 3.5 t80 -73.88 -60.81 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 73.530000000000001 110.987 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.1 mp -44.19 -47.38 9.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.157 . . . . 71.439999999999998 109.321 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -52.0 -43.84 63.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 72.120000000000005 110.273 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -166.16 86.9 0.9 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 64.519999999999996 109.321 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.453 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.93 -0.27 9.73 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.503 1.791 . . . . 74.420000000000002 111.024 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -44.95 17.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 72.430000000000007 109.274 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -42.3 82.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 74.439999999999998 109.288 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.48 ' OH ' ' CD1' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -55.33 -58.46 7.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 73.430000000000007 110.964 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.481 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 3.6 mt -130.9 85.05 56.42 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 74.530000000000001 109.337 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.86 135.11 18.91 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.438 1.757 . . . . 75.430000000000007 111.082 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.13 6.9 58.75 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 64.010000000000005 111.082 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.5 t -72.8 168.11 19.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 0.758 . . . . 74.510000000000005 110.415 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.433 ' HB2' ' CMD' ' A' ' 500' ' ' HEC . 23.8 mttm -80.99 -21.11 40.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.153 . . . . 71.340000000000003 109.238 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.47 ' CE ' ' NA ' ' A' ' 500' ' ' HEC . 4.5 tpp -43.01 138.34 2.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 75.049999999999997 110.978 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 22.7 mm -116.23 47.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 73.129999999999995 109.3 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.418 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 11.8 t80 -118.24 148.7 42.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 74.409999999999997 111.037 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.7 m -98.41 -32.03 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 72.200000000000003 109.273 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.418 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 124.32 -179.75 16.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.557 1.16 . . . . 73.519999999999996 111.025 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.4 mt -120.89 138.42 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.754 . . . . 73.430000000000007 109.295 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -94.51 -27.64 15.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 74.439999999999998 109.282 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 40.1 mttp -90.35 107.31 19.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 74.420000000000002 109.293 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.9 tttm -61.75 -33.45 74.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.086 . . . . 73.519999999999996 109.293 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -61.87 -33.65 74.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 73.439999999999998 110.22 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.27 -8.51 57.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 64.239999999999995 110.334 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.438 ' O ' ' CG1' ' A' ' 95' ' ' ILE . 47.7 mtt180 -89.28 -34.06 16.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 75.239999999999995 110.264 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 96' ' ' ALA . . . -67.3 -51.35 53.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 64.010000000000005 109.283 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.05 -45.36 95.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 75.329999999999998 109.316 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.44 HD12 ' CD1' ' A' ' 98' ' ' LEU . 1.9 tm? -64.22 -36.69 84.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 75.239999999999995 109.323 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.438 ' CG1' ' O ' ' A' ' 91' ' ' ARG . 68.3 mt -79.78 -16.25 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 73.239999999999995 109.338 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 92' ' ' ALA . . . -74.42 -40.01 62.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 72.299999999999997 109.245 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.569 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 1.2 t80 -86.1 -27.34 24.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 74.519999999999996 110.94 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.44 ' CD1' HD12 ' A' ' 94' ' ' LEU . 10.7 mt -73.97 -31.35 62.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 73.239999999999995 109.273 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 60.2 tttm -83.81 -14.5 51.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 74.099999999999994 109.335 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -107.09 -14.65 14.87 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 72.120000000000005 109.296 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.545 ' HB3' ' CE1' ' A' ' 97' ' ' TYR . . . -77.42 -48.57 16.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 75.140000000000001 109.303 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 31.0 p -88.72 17.83 5.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.411 1.07 . . . . 73.420000000000002 110.366 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -107.97 -40.72 5.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 74.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 74.299999999999997 110.341 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.47 ' NA ' ' CE ' ' A' ' 80' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.972 -0.851 . . . . 61.299999999999997 110.972 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.42 153.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.741 . . . . 74.519999999999996 109.275 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -110.35 -39.72 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 75.340000000000003 109.283 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -51.84 -49.32 63.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.403 1.065 . . . . 73.120000000000005 110.314 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -20.63 43.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 75.510000000000005 109.231 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.19 -22.08 13.88 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.148 . . . . 72.040000000000006 110.986 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.572 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 23.9 tttm -76.71 -25.26 53.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.788 . . . . 75.299999999999997 109.357 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -82.61 -44.64 15.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.611 1.194 . . . . 65.219999999999999 109.251 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.447 ' CG2' ' CE ' ' A' ' 13' ' ' LYS . 22.4 mt -68.45 -37.48 77.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 74.319999999999993 109.34 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.528 ' CE1' HG13 ' A' ' 20' ' ' VAL . 17.3 t80 -59.46 -17.45 31.29 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.103 . . . . 73.319999999999993 111.005 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.472 ' O ' ' CB ' ' A' ' 15' ' ' SER . 17.5 mt -84.27 -60.46 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 74.439999999999998 109.295 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.7 mmm -64.48 -10.6 26.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 74.120000000000005 111.026 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.447 ' CE ' ' CG2' ' A' ' 9' ' ' ILE . 49.6 mttm -112.79 -36.16 5.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 74.310000000000002 109.355 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.487 ' HB2' ' CD1' ' A' ' 10' ' ' PHE . 1.4 m -133.14 75.7 1.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 71.230000000000004 108.292 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER -111.24 143.9 41.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 63.310000000000002 110.044 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 38.96 36.92 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 73.530000000000001 110.261 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 m -134.78 -48.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 75.409999999999997 108.251 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -115.63 129.0 56.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 64.329999999999998 109.609 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.5 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 25.5 p -83.05 -32.37 26.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 73.310000000000002 110.383 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.528 HG13 ' CE1' ' A' ' 10' ' ' PHE . 36.0 m 46.33 51.29 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 75.129999999999995 109.367 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -128.27 -179.53 5.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 64.120000000000005 110.246 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -78.41 96.47 5.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 75.049999999999997 109.279 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 38.73 53.48 2.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 62.509999999999998 111.034 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.36 -155.39 30.48 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.985 -0.846 . . . . 42.539999999999999 110.985 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.95 -175.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 71.510000000000005 109.255 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -130.53 73.79 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 74.519999999999996 109.588 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' GLY . 24.9 mmmt -53.59 -173.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 74.230000000000004 109.291 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 m -38.84 -29.92 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.481 1.113 . . . . 72.129999999999995 110.375 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -115.9 164.43 12.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 73.329999999999998 111.073 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 148.72 35.4 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.532 1.806 . . . . 64.109999999999999 110.995 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -58.2 144.09 41.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 72.230000000000004 109.295 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.48 ' CD2' ' O1A' ' A' ' 500' ' ' HEC . 11.4 mt -124.68 83.06 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 75.230000000000004 109.335 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -103.24 -40.25 6.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 64.430000000000007 109.598 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.44 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -101.74 27.76 18.99 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.127 . . . . 75.209999999999994 111.012 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.5 tp -40.43 -68.55 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 74.120000000000005 109.326 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.547 ' CE2' ' HA ' ' A' ' 99' ' ' LYS . 29.6 m-85 -76.34 95.73 3.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.619 1.2 . . . . 72.530000000000001 110.952 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.22 32.25 1.7 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.584 1.177 . . . . 54.109999999999999 110.961 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.44 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 51.0 ttm-85 -145.28 138.41 26.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 74.230000000000004 110.318 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.457 ' HD3' ' CD1' ' A' ' 58' ' ' ILE . 2.7 mppt? -76.17 -175.24 3.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.455 1.097 . . . . 73.120000000000005 109.268 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.7 p -96.89 124.32 40.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 75.439999999999998 110.369 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.72 64.54 1.37 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.144 . . . . 62.5 110.961 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 44' ' ' PRO . 81.6 mm-40 -123.9 -41.8 2.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 0.794 . . . . 74.219999999999999 110.281 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.448 ' HB1' ' CE1' ' A' ' 48' ' ' TYR . . . -39.52 99.92 0.2 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.085 . . . . 73.209999999999994 109.282 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -75.01 -15.49 20.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.55 1.816 . . . . 71.209999999999994 110.968 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.71 -49.21 6.69 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.568 1.168 . . . . 63.409999999999997 111.005 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -133.55 91.81 2.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 73.200000000000003 111.0 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 64.1 p -64.8 144.42 57.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 74.420000000000002 109.975 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.598 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -87.89 -174.94 4.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 74.5 111.022 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.403 HG23 ' NZ ' ' A' ' 79' ' ' LYS . 60.0 p -55.81 175.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 75.150000000000006 110.364 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.434 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -84.9 -15.73 43.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 65.450000000000003 109.323 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.5 -27.82 34.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 73.129999999999995 109.32 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' LYS . 2.0 t30 -87.87 -52.9 5.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 72.120000000000005 109.305 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -41.87 -30.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 75.030000000000001 109.287 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -65.06 -51.89 58.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 73.209999999999994 109.292 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 52' ' ' ASN . 23.1 tptt -40.59 140.44 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 71.129999999999995 109.275 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.59 66.03 0.48 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.547 1.155 . . . . 74.099999999999994 111.027 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.8 pp -133.61 164.25 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 74.010000000000005 109.243 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.457 ' CD1' ' HD3' ' A' ' 39' ' ' LYS . 2.7 mm -92.58 138.67 19.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.466 1.104 . . . . 74.329999999999998 109.334 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -81.51 100.0 9.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.107 . . . . 75.239999999999995 108.03 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -114.91 -167.42 15.48 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.502 1.126 . . . . 64.519999999999996 111.03 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -75.67 -52.59 10.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 0.733 . . . . 71.140000000000001 110.373 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -53.86 -49.24 68.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 64.109999999999999 109.277 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 64.7 p -56.76 -65.83 0.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 73.219999999999999 110.37 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.5 mt -43.95 -42.35 5.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.577 1.173 . . . . 75.519999999999996 109.316 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.47 ' CE ' ' CB ' ' A' ' 91' ' ' ARG . 3.5 tpt -48.74 -56.84 7.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 75.319999999999993 110.94 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -70.45 -58.2 3.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 74.209999999999994 110.36 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -43.04 -31.91 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.065 . . . . 73.530000000000001 111.033 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.3 mt -70.79 -50.63 33.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 71.439999999999998 109.3 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -51.28 -32.15 23.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 72.120000000000005 110.359 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -168.01 88.57 0.69 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 64.519999999999996 109.334 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.28 1.24 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.533 1.807 . . . . 74.420000000000002 110.955 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.4 -50.65 51.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 72.430000000000007 109.287 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -60.93 -52.81 63.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 74.439999999999998 109.302 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -48.45 -28.94 3.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 73.430000000000007 111.016 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.1 mt -148.41 90.07 5.01 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 74.530000000000001 109.325 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 122.39 7.16 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.433 1.754 . . . . 75.430000000000007 110.988 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.34 3.15 38.3 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 64.010000000000005 110.987 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.4 t -70.77 160.74 32.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 74.510000000000005 110.337 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.403 ' NZ ' HG23 ' A' ' 49' ' ' THR . 5.0 mtmm -83.02 -39.98 20.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 71.340000000000003 109.269 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.3 ttt -45.06 129.51 7.57 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.487 1.117 . . . . 75.049999999999997 110.991 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mt -109.73 124.16 66.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 73.129999999999995 109.353 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -154.63 176.9 11.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 74.409999999999997 110.956 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.2 m -122.54 -45.72 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 72.200000000000003 109.319 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.11 139.41 5.34 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.577 1.173 . . . . 73.519999999999996 111.011 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 14.8 mt -92.34 145.04 8.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.503 0.766 . . . . 73.430000000000007 109.278 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.82 -63.58 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 74.439999999999998 109.254 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -57.11 110.91 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 74.420000000000002 109.333 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -22.15 66.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 73.519999999999996 109.313 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -64.71 -32.29 73.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 73.439999999999998 110.255 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -77.45 -31.71 54.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 64.239999999999995 110.265 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.47 ' CB ' ' CE ' ' A' ' 65' ' ' MET . 88.6 mtm-85 -74.37 -22.48 59.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 75.239999999999995 110.262 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.92 -45.8 23.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 64.010000000000005 109.285 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.73 -51.29 43.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 75.329999999999998 109.243 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 65.0 tp -47.23 -38.54 12.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 75.239999999999995 109.302 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 81.9 mt -78.17 -42.74 27.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 73.239999999999995 109.35 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.45 -22.22 4.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 72.299999999999997 109.28 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.572 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -93.19 -55.66 3.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 74.519999999999996 111.012 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.469 ' CD1' HMB2 ' A' ' 500' ' ' HEC . 13.9 mt -53.67 -24.65 15.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 73.239999999999995 109.317 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.547 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 10.9 pttp -76.6 -32.83 58.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 74.099999999999994 109.323 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -90.96 -14.6 31.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 72.120000000000005 109.328 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -82.61 -48.24 11.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 75.140000000000001 109.297 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 41.7 p -81.71 4.47 21.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 73.420000000000002 110.398 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -104.13 -62.08 1.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 74.0 109.237 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 74.299999999999997 110.294 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.48 ' O1A' ' CD2' ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.979 -0.848 . . . . 61.299999999999997 110.979 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -52.08 163.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 74.519999999999996 109.277 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -114.75 -52.02 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.108 . . . . 75.340000000000003 109.273 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -40.49 -50.91 2.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.622 1.201 . . . . 73.120000000000005 110.336 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -50.44 -44.03 55.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 75.510000000000005 109.258 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -79.37 -20.14 70.05 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.479 1.112 . . . . 72.040000000000006 111.044 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.574 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 15.8 ttpp -76.04 -21.12 57.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.401 0.707 . . . . 75.299999999999997 109.272 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -90.02 -29.55 18.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 65.219999999999999 109.286 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.438 HG21 ' CE ' ' A' ' 13' ' ' LYS . 18.7 mt -85.38 -19.28 8.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.163 . . . . 74.319999999999993 109.333 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.568 ' CE1' HG13 ' A' ' 20' ' ' VAL . 9.4 t80 -78.1 -25.32 47.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 73.319999999999993 111.073 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.497 ' O ' ' CB ' ' A' ' 15' ' ' SER . 56.8 mt -81.82 -74.4 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 74.439999999999998 109.253 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 34.2 mmm -38.38 -29.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.46 1.1 . . . . 74.120000000000005 111.037 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 11' ' ' ILE . 34.6 mttm -99.23 -65.63 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 74.310000000000002 109.32 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.473 ' HB2' ' CD1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -92.81 62.22 3.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.088 . . . . 71.230000000000004 108.303 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -101.21 151.55 21.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 63.310000000000002 110.007 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 38.95 30.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 73.530000000000001 110.27 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.437 ' HA ' ' CG2' ' A' ' 28' ' ' THR . 2.0 m -132.7 -71.43 0.53 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 75.409999999999997 108.302 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -93.93 155.31 17.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 64.329999999999998 109.591 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.493 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 56.9 p -117.2 -36.13 3.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 73.310000000000002 110.363 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.568 HG13 ' CE1' ' A' ' 10' ' ' PHE . 8.7 m 49.05 27.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 75.129999999999995 109.266 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.448 ' CG ' ' HB ' ' A' ' 19' ' ' THR . 1.8 pt-20 -131.82 157.62 43.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 64.120000000000005 110.311 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.0 mtmm -90.43 58.98 4.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 75.049999999999997 109.287 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -173.35 -38.84 0.04 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 62.509999999999998 110.973 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.69 84.37 0.15 Allowed Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.025 -0.83 . . . . 42.539999999999999 111.025 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 pttp -41.49 161.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 71.510000000000005 109.279 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.409 ' CE1' ' H ' ' A' ' 31' ' ' ASN . 7.3 m170 -64.02 131.38 47.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 74.519999999999996 109.588 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.63 -85.21 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 74.230000000000004 109.279 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.437 ' CG2' ' HA ' ' A' ' 17' ' ' CYS . 24.2 p -87.92 -34.98 17.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 72.129999999999995 110.374 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -136.3 -176.74 14.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.442 1.089 . . . . 73.329999999999998 110.979 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.45 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -75.02 143.34 28.89 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.408 1.741 . . . . 64.109999999999999 110.985 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.409 ' H ' ' CE1' ' A' ' 26' ' ' HIS . 13.7 t-20 -53.08 161.75 0.78 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.6 1.188 . . . . 72.230000000000004 109.306 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -120.93 72.85 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 75.230000000000004 109.243 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -120.9 -48.67 2.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 64.430000000000007 109.625 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.11 22.88 36.4 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 75.209999999999994 110.965 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.9 tp -49.4 -74.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 74.120000000000005 109.316 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.536 ' CE2' ' HG3' ' A' ' 99' ' ' LYS . 8.3 m-85 -54.5 132.56 44.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 72.530000000000001 111.027 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.89 33.32 41.97 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.532 1.145 . . . . 54.109999999999999 111.055 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -145.21 135.83 24.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 0.749 . . . . 74.230000000000004 110.256 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.443 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 6.8 mtmm -73.1 -178.86 3.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 73.120000000000005 109.29 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.0 p -90.06 141.53 28.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 75.439999999999998 110.391 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.417 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 61.99 57.98 14.85 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.565 1.165 . . . . 62.5 111.025 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 44' ' ' PRO . 96.4 mm-40 -115.63 -41.91 3.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 74.219999999999999 110.286 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.44 99.84 0.2 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 73.209999999999994 109.355 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.4 Cg_endo -74.95 -0.62 10.16 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.5 1.79 . . . . 71.209999999999994 111.019 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.12 -46.62 2.8 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 63.409999999999997 111.008 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.443 ' O ' ' CE1' ' A' ' 48' ' ' TYR . 36.9 t80 -125.82 81.61 2.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 0.778 . . . . 73.200000000000003 111.004 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.6 t -56.28 139.49 47.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.58 1.175 . . . . 74.420000000000002 110.005 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.545 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 1.9 m-30 -91.73 -175.99 4.33 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.63 1.206 . . . . 74.5 111.039 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 p -62.51 161.26 12.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 75.150000000000006 110.339 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.51 -23.17 66.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 65.450000000000003 109.247 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.94 -70.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 73.129999999999995 109.277 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.96 -42.19 36.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.406 1.066 . . . . 72.120000000000005 109.297 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -48.27 -50.21 30.7 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.414 1.071 . . . . 75.030000000000001 109.244 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -49.14 -55.66 11.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 73.209999999999994 109.265 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.476 ' HE3' ' CE1' ' A' ' 74' ' ' TYR . 4.9 tppt? -43.39 137.79 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 71.129999999999995 109.298 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.25 64.7 0.5 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.567 1.167 . . . . 74.099999999999994 111.029 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 pp -124.87 164.91 22.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.509 0.77 . . . . 74.010000000000005 109.287 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.443 ' CD1' ' HG3' ' A' ' 39' ' ' LYS . 4.1 mm -92.19 142.65 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 74.329999999999998 109.312 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.569 ' CH2' ' CD2' ' A' ' 67' ' ' TYR . 23.1 m95 -86.54 152.15 22.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 75.239999999999995 108.015 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.415 ' C ' ' N ' ' A' ' 62' ' ' ASP . . . 178.12 146.52 6.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.118 . . . . 64.519999999999996 111.031 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.586 ' CB ' ' CG2' ' A' ' 95' ' ' ILE . 1.4 pt-20 -40.18 -29.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 71.140000000000001 110.268 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.415 ' N ' ' C ' ' A' ' 60' ' ' GLY . 0.4 OUTLIER -67.18 -61.93 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 64.109999999999999 109.323 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.9 p -58.93 -26.08 64.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 73.219999999999999 110.369 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 70.1 mt -73.06 -41.84 63.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 75.519999999999996 109.328 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 34.0 tpp -61.29 -18.42 58.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.075 . . . . 75.319999999999993 111.05 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -107.58 -27.67 10.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 74.209999999999994 110.259 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.637 ' CE1' ' CB ' ' A' ' 71' ' ' PRO . 7.8 t80 -87.59 -10.63 50.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 73.530000000000001 110.997 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.9 mt -84.12 -37.45 21.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 71.439999999999998 109.265 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -51.59 -35.55 41.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 72.120000000000005 110.225 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -170.56 82.91 0.55 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 64.519999999999996 109.305 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.637 ' CB ' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.04 0.18 9.23 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.582 1.833 . . . . 74.420000000000002 111.038 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -84.87 -18.76 33.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 72.430000000000007 109.302 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -94.81 -52.23 4.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 74.439999999999998 109.303 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.476 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 2.9 t80 -41.35 -28.85 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 73.430000000000007 111.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.457 ' CG2' ' HB ' ' A' ' 78' ' ' THR . 6.5 mt -143.62 90.13 7.2 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 74.530000000000001 109.291 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 119.57 5.7 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.451 1.764 . . . . 75.430000000000007 110.942 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.04 13.27 34.28 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.46 1.1 . . . . 64.010000000000005 110.959 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.457 ' HB ' ' CG2' ' A' ' 75' ' ' ILE . 13.2 t -81.34 175.02 10.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 74.510000000000005 110.397 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.437 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 3.0 mtmt -96.05 -15.95 21.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 71.340000000000003 109.246 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.538 ' CE ' ' NA ' ' A' ' 500' ' ' HEC . 2.1 tpp -51.77 108.94 0.31 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.144 . . . . 75.049999999999997 110.996 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.437 ' CD1' ' O ' ' A' ' 79' ' ' LYS . 16.5 mm -93.43 69.83 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 73.129999999999995 109.295 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.465 ' CE2' HBB2 ' A' ' 500' ' ' HEC . 5.1 t80 -146.28 128.79 16.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 74.409999999999997 111.032 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.9 m -87.6 -15.69 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 72.200000000000003 109.363 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 97.45 168.14 32.69 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.562 1.164 . . . . 73.519999999999996 111.046 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.438 ' O ' ' NH1' ' A' ' 91' ' ' ARG . 2.8 mp -99.45 167.95 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.558 0.799 . . . . 73.430000000000007 109.233 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.26 -65.19 1.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.16 . . . . 74.439999999999998 109.317 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -47.05 130.14 12.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.61 1.194 . . . . 74.420000000000002 109.296 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -74.91 -34.29 62.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.568 1.168 . . . . 73.519999999999996 109.269 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -62.49 -43.4 98.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 73.439999999999998 110.266 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -64.58 -33.9 77.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 64.239999999999995 110.313 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.438 ' NH1' ' O ' ' A' ' 85' ' ' ILE . 52.8 mtm-85 -72.04 -37.27 69.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 75.239999999999995 110.275 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.98 -61.71 2.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 64.010000000000005 109.321 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 96' ' ' ALA . 28.0 m-20 -52.6 -53.98 39.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 75.329999999999998 109.272 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.415 ' HG ' ' CD1' ' A' ' 98' ' ' LEU . 58.4 tp -47.78 -39.91 19.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 75.239999999999995 109.352 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.586 ' CG2' ' CB ' ' A' ' 61' ' ' GLU . 65.2 mt -75.99 -30.18 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 73.239999999999995 109.3 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -66.08 -32.97 74.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 72.299999999999997 109.334 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.574 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 0.9 OUTLIER -90.02 -35.64 15.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 74.519999999999996 111.024 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.415 ' CD1' ' HG ' ' A' ' 94' ' ' LEU . 38.1 mt -63.93 -18.84 64.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 73.239999999999995 109.292 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.536 ' HG3' ' CE2' ' A' ' 36' ' ' PHE . 32.1 tttm -95.4 -52.57 4.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 74.099999999999994 109.328 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -64.38 -15.7 60.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 72.120000000000005 109.284 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.567 ' HB1' ' CE1' ' A' ' 97' ' ' TYR . . . -78.83 -57.18 3.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 75.140000000000001 109.308 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 44.7 p -71.74 -20.7 61.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 73.420000000000002 110.41 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -64.22 -65.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 74.0 109.261 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 74.299999999999997 110.327 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.538 ' NA ' ' CE ' ' A' ' 80' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.039 -0.824 . . . . 61.299999999999997 111.039 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -42.43 154.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 0.817 . . . . 74.519999999999996 109.337 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -113.11 -53.23 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 75.340000000000003 109.311 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -38.43 -57.14 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 73.120000000000005 110.322 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -45.16 -45.02 11.24 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 75.510000000000005 109.294 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -73.92 -26.8 68.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 72.040000000000006 110.974 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.564 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 8.5 ttpp -75.41 -20.55 58.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.463 0.743 . . . . 75.299999999999997 109.278 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -94.04 -19.56 20.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 65.219999999999999 109.276 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.8 mt -98.1 -15.4 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 74.319999999999993 109.299 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.547 ' CE1' HG11 ' A' ' 20' ' ' VAL . 9.1 t80 -84.93 -29.11 25.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 73.319999999999993 110.996 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.494 ' O ' ' CB ' ' A' ' 15' ' ' SER . 84.8 mt -81.63 -69.1 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 74.439999999999998 109.27 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.2 mmt -38.12 -30.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 74.120000000000005 111.012 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.538 ' HE2' ' CZ ' ' A' ' 82' ' ' PHE . 4.9 mtpm? -103.36 -67.77 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 74.310000000000002 109.302 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -84.77 60.31 6.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 71.230000000000004 108.285 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -100.54 152.49 20.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 63.310000000000002 110.018 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 39.75 31.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 73.530000000000001 110.372 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.7 m -135.1 -67.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 75.409999999999997 108.334 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -97.23 151.03 20.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 64.329999999999998 109.58 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.5 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 17.4 p -114.08 -32.02 6.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 73.310000000000002 110.334 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.547 HG11 ' CE1' ' A' ' 10' ' ' PHE . 12.1 m 48.72 27.46 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 75.129999999999995 109.286 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -111.53 154.21 25.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 64.120000000000005 110.28 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -67.86 -55.73 11.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 75.049999999999997 109.292 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.66 -16.88 78.52 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.469 1.106 . . . . 62.509999999999998 110.979 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -39.7 154.0 0.05 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.068 -0.813 . . . . 42.539999999999999 111.068 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.69 163.12 16.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 0.783 . . . . 71.510000000000005 109.347 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -73.01 121.97 20.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 74.519999999999996 109.562 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -110.45 -101.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 74.230000000000004 109.262 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -74.74 -28.65 60.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 72.129999999999995 110.44 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -143.28 -162.76 9.47 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.55 1.156 . . . . 73.329999999999998 110.983 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.408 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.01 152.7 41.02 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.441 1.759 . . . . 64.109999999999999 110.916 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -76.44 135.12 39.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 72.230000000000004 109.321 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.2 mt -94.37 81.19 3.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 75.230000000000004 109.355 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -104.75 -58.53 1.87 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 64.430000000000007 109.597 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.07 37.63 3.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.431 1.082 . . . . 75.209999999999994 111.028 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.9 tp -41.19 -54.48 2.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 74.120000000000005 109.249 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.553 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 15.0 m-85 -87.01 106.65 17.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 72.530000000000001 110.959 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.55 27.75 5.11 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 54.109999999999999 111.004 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -137.41 124.75 21.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 74.230000000000004 110.311 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -61.92 -174.39 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 73.120000000000005 109.32 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.7 p -94.05 111.63 23.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 75.439999999999998 110.367 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.472 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 88.77 62.15 1.4 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.524 1.14 . . . . 62.5 111.045 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 43' ' ' ALA . 70.4 mm-40 -112.26 -39.73 4.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.41 0.712 . . . . 74.219999999999999 110.352 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.451 ' CB ' ' OH ' ' A' ' 48' ' ' TYR . . . -39.51 99.91 0.2 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 73.209999999999994 109.334 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -74.99 -1.52 11.32 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.519 1.8 . . . . 71.209999999999994 110.998 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.94 -14.7 28.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.465 1.103 . . . . 63.409999999999997 111.034 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -151.02 120.93 7.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 73.200000000000003 111.03 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.0 p -95.67 138.28 33.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 74.420000000000002 109.95 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.621 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -98.24 -174.91 2.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 74.5 111.042 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.429 HG21 ' CG ' ' A' ' 79' ' ' LYS . 25.0 p -61.3 175.62 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.405 1.066 . . . . 75.150000000000006 110.327 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.426 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -80.86 -15.92 55.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 65.450000000000003 109.282 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.3 -51.49 17.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 73.129999999999995 109.275 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 55' ' ' LYS . 2.5 t30 -73.14 -51.5 17.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 72.120000000000005 109.278 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -47.3 -43.36 22.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 75.030000000000001 109.25 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -61.59 -35.98 79.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 73.209999999999994 109.315 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 52' ' ' ASN . 6.8 tptp -47.08 144.67 2.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.457 1.098 . . . . 71.129999999999995 109.348 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.6 68.48 0.44 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 74.099999999999994 111.014 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.39 165.46 14.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.437 0.728 . . . . 74.010000000000005 109.323 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.6 mm -98.25 156.44 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 74.329999999999998 109.296 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -97.69 143.71 28.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 75.239999999999995 108.024 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.553 ' HA2' ' CE2' ' A' ' 36' ' ' PHE . . . -164.19 -153.07 7.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.113 . . . . 64.519999999999996 111.039 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -87.93 -37.94 16.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.471 0.747 . . . . 71.140000000000001 110.353 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -73.69 -49.45 25.7 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 64.109999999999999 109.318 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.6 p -60.53 -27.65 67.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 73.219999999999999 110.353 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.7 mt -84.31 -39.88 18.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 75.519999999999996 109.329 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.457 ' HE2' ' CD1' ' A' ' 95' ' ' ILE . 3.8 mmt -53.61 -22.99 9.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 75.319999999999993 111.035 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -98.09 -47.73 5.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.11 . . . . 74.209999999999994 110.278 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.56 ' CD1' ' HB3' ' A' ' 71' ' ' PRO . 34.6 t80 -52.41 -41.09 62.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 73.530000000000001 111.049 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.6 mt -72.07 -43.09 65.42 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.557 1.161 . . . . 71.439999999999998 109.288 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -52.48 -39.14 60.87 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.496 1.123 . . . . 72.120000000000005 110.294 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -170.37 82.66 0.57 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 64.519999999999996 109.301 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.56 ' HB3' ' CD1' ' A' ' 67' ' ' TYR . 18.5 Cg_endo -74.9 0.08 9.29 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.779 . . . . 74.420000000000002 111.033 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.46 ' HA ' ' CE ' ' A' ' 72' ' ' LYS . 0.3 OUTLIER -80.34 -30.79 38.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 72.430000000000007 109.322 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -86.94 -34.91 19.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 74.439999999999998 109.307 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -59.73 -55.06 39.06 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.515 1.134 . . . . 73.430000000000007 111.006 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.2 mt -134.86 82.1 44.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 74.530000000000001 109.209 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 109.85 3.0 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.476 1.777 . . . . 75.430000000000007 110.931 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.4 -10.28 8.18 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.449 1.093 . . . . 64.010000000000005 111.013 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.1 t -54.47 160.7 1.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 74.510000000000005 110.37 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.429 ' CG ' HG21 ' A' ' 49' ' ' THR . 14.2 mtmt -78.32 -21.81 49.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.108 . . . . 71.340000000000003 109.271 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.2 ttt -64.89 119.74 11.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 75.049999999999997 110.974 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.3 mm -96.35 116.94 39.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 73.129999999999995 109.307 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.538 ' CZ ' ' HE2' ' A' ' 13' ' ' LYS . 14.5 t80 -172.95 165.93 5.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 74.409999999999997 111.032 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.421 ' CG2' ' N ' ' A' ' 84' ' ' GLY . 22.0 m -112.09 -52.26 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 72.200000000000003 109.328 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.421 ' N ' ' CG2' ' A' ' 83' ' ' VAL . . . 143.31 175.65 16.61 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 73.519999999999996 110.976 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.6 mt -110.94 147.21 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 73.430000000000007 109.314 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.87 -54.7 3.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 74.439999999999998 109.255 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.4 mtmm -65.33 113.41 4.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 74.420000000000002 109.269 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -71.61 -24.45 61.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 73.519999999999996 109.252 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -67.74 -42.79 81.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 73.439999999999998 110.262 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -63.44 -24.42 67.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 64.239999999999995 110.257 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.417 ' O ' ' CG1' ' A' ' 95' ' ' ILE . 38.3 mtm180 -73.06 -35.52 66.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 75.239999999999995 110.328 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.435 ' O ' ' CB ' ' A' ' 96' ' ' ALA . . . -63.83 -35.23 79.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 64.010000000000005 109.297 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -76.37 -53.53 8.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 75.329999999999998 109.3 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.447 ' CD1' ' HB2' ' A' ' 10' ' ' PHE . 31.3 tp -56.95 -31.42 64.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 75.239999999999995 109.28 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.457 ' CD1' ' HE2' ' A' ' 65' ' ' MET . 69.6 mt -84.39 -37.35 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 73.239999999999995 109.368 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 92' ' ' ALA . . . -63.49 -31.72 72.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.583 1.177 . . . . 72.299999999999997 109.36 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.564 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -85.75 -31.42 22.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 74.519999999999996 111.006 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.45 ' CD1' HMB2 ' A' ' 500' ' ' HEC . 12.4 mt -76.68 -27.34 55.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 73.239999999999995 109.279 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.543 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 15.9 pttm -79.11 -31.9 44.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 74.099999999999994 109.268 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -90.44 -25.89 20.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 72.120000000000005 109.358 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 97' ' ' TYR . . . -68.45 -48.31 64.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 75.140000000000001 109.371 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 42.7 p -82.85 6.78 17.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 73.420000000000002 110.477 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -96.74 -51.33 4.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 74.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 74.299999999999997 110.257 -179.92 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.45 HMB2 ' CD1' ' A' ' 98' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.983 -0.847 . . . . 61.299999999999997 110.983 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.25 175.57 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 0.791 . . . . 74.519999999999996 109.283 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.548 HG21 ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -110.81 -42.93 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 75.340000000000003 109.303 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.437 ' O ' ' CD ' ' A' ' 8' ' ' LYS . 1.2 mp0 -53.37 -32.81 51.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 73.120000000000005 110.347 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -69.47 -27.74 65.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.396 1.06 . . . . 75.510000000000005 109.298 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.24 -12.87 40.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.444 1.09 . . . . 72.040000000000006 110.93 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.566 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 22.9 tttp -74.44 -35.94 63.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 0.787 . . . . 75.299999999999997 109.312 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.437 ' CD ' ' O ' ' A' ' 4' ' ' GLU . 0.8 OUTLIER -69.2 -43.53 73.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 65.219999999999999 109.321 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.1 mt -64.71 -32.55 58.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 74.319999999999993 109.308 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.563 ' CE1' HG11 ' A' ' 20' ' ' VAL . 61.9 t80 -73.0 -23.09 60.59 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.604 1.19 . . . . 73.319999999999993 111.016 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.7 mt -97.23 -9.9 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 74.439999999999998 109.322 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 6.9 mmt -105.4 -6.86 19.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 74.120000000000005 111.037 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -134.04 -66.01 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 74.310000000000002 109.326 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.493 ' HB2' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -88.48 55.79 3.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 71.230000000000004 108.309 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -108.95 156.11 20.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 63.310000000000002 109.956 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 48.39 24.01 0.66 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 73.530000000000001 110.301 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.7 m -130.81 -68.4 0.68 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.578 1.174 . . . . 75.409999999999997 108.309 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -86.2 170.3 12.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 64.329999999999998 109.571 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.487 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 41.2 p -121.32 -41.47 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 73.310000000000002 110.411 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.563 HG11 ' CE1' ' A' ' 10' ' ' PHE . 9.8 m 48.89 27.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.394 1.059 . . . . 75.129999999999995 109.293 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.423 ' CG ' ' HB ' ' A' ' 19' ' ' THR . 2.4 pt-20 -129.48 164.3 24.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 64.120000000000005 110.345 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -109.61 97.1 6.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.425 1.078 . . . . 75.049999999999997 109.264 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.07 -22.62 2.61 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.576 1.172 . . . . 62.509999999999998 111.023 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.87 149.78 41.84 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.042 -0.823 . . . . 42.539999999999999 111.042 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.5 pttt -73.15 172.99 10.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 0.786 . . . . 71.510000000000005 109.308 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -87.23 83.35 7.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 74.519999999999996 109.643 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -66.76 -167.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 74.230000000000004 109.324 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 p -38.37 -37.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 72.129999999999995 110.386 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.98 156.71 15.45 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.496 1.123 . . . . 73.329999999999998 110.972 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.456 ' HD3' ' C2D' ' A' ' 500' ' ' HEC . 18.2 Cg_endo -75.0 152.78 41.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.524 1.802 . . . . 64.109999999999999 110.973 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.436 ' ND2' ' OG1' ' A' ' 19' ' ' THR . 7.2 t-20 -69.72 168.64 14.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 72.230000000000004 109.321 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.417 HD12 ' CG1' ' A' ' 20' ' ' VAL . 1.3 mp -140.63 107.87 5.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 75.230000000000004 109.339 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.406 ' H ' ' NH2' ' A' ' 38' ' ' ARG . 3.1 t-160 -116.39 -65.99 1.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 64.430000000000007 109.566 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.08 34.16 5.93 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.563 1.165 . . . . 75.209999999999994 111.036 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.438 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 5.6 tp -40.55 -40.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 0.787 . . . . 74.120000000000005 109.276 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.562 ' CE1' ' CB ' ' A' ' 99' ' ' LYS . 12.2 m-85 -90.85 93.95 9.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 72.530000000000001 111.003 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.73 4.04 9.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.454 1.096 . . . . 54.109999999999999 110.936 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.438 ' CD ' ' HA ' ' A' ' 35' ' ' LEU . 8.6 ptp180 -105.49 165.62 11.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 0.774 . . . . 74.230000000000004 110.318 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.488 ' NZ ' ' N ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -96.18 -177.66 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 73.120000000000005 109.272 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.6 p -91.09 110.06 21.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 75.439999999999998 110.367 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.07 42.51 4.65 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 62.5 111.017 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 44' ' ' PRO . 26.4 mm-40 -94.76 -32.37 13.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 0.776 . . . . 74.219999999999999 110.294 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 48' ' ' TYR . . . -39.39 99.8 0.2 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 73.209999999999994 109.364 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.411 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -74.89 -14.54 21.38 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.509 1.794 . . . . 71.209999999999994 110.995 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -87.32 -7.39 76.52 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.522 1.138 . . . . 63.409999999999997 111.008 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -169.09 113.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 73.200000000000003 110.988 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.2 m -83.36 132.26 35.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 74.420000000000002 110.042 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.501 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 3.3 m-30 -85.42 178.58 7.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 74.5 110.973 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.8 p -60.92 179.16 0.19 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.494 1.121 . . . . 75.150000000000006 110.375 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.74 9.7 18.08 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.502 1.126 . . . . 65.450000000000003 109.327 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.64 -30.91 12.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.402 1.064 . . . . 73.129999999999995 109.282 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.62 -40.37 7.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 72.120000000000005 109.281 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -60.17 -43.01 96.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 75.030000000000001 109.314 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 55' ' ' LYS . 51.7 p-10 -63.1 -15.35 56.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 73.209999999999994 109.307 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.449 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 19.9 tptt -73.56 150.53 41.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 71.129999999999995 109.343 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.61 75.54 0.32 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 74.099999999999994 110.97 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.8 pp -144.75 149.57 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 74.010000000000005 109.239 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.467 HD13 ' CD ' ' A' ' 39' ' ' LYS . 1.9 mm -82.95 124.07 39.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 74.329999999999998 109.27 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.406 ' CE3' ' HA ' ' A' ' 59' ' ' TRP . 7.2 m95 -66.74 100.8 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.97 -1.122 . . . . 75.239999999999995 107.97 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -115.16 -158.91 12.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.568 1.167 . . . . 64.519999999999996 111.043 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -89.47 -55.6 3.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 0.803 . . . . 71.140000000000001 110.333 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -54.95 -20.27 8.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 64.109999999999999 109.31 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 41.0 p -80.73 -55.44 4.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 73.219999999999999 110.378 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.2 mt -54.81 -20.02 7.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 75.519999999999996 109.264 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.2 mmt -65.13 -64.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 75.319999999999993 111.025 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.57 -30.88 71.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 74.209999999999994 110.315 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.423 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 13.1 t80 -62.26 -59.6 4.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 73.530000000000001 110.968 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.452 ' CD2' HD12 ' A' ' 94' ' ' LEU . 8.4 mp -58.46 -28.46 65.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 71.439999999999998 109.303 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -66.23 -39.33 89.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 72.120000000000005 110.302 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -166.48 80.79 1.03 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 64.519999999999996 109.294 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.423 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.97 -2.75 12.95 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.469 1.773 . . . . 74.420000000000002 111.035 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -17.19 56.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 72.430000000000007 109.32 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.35 -36.09 8.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 74.439999999999998 109.256 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -62.67 -44.31 96.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 73.430000000000007 111.011 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.7 mt -141.52 87.01 10.57 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 74.530000000000001 109.335 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 128.83 11.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 75.430000000000007 111.003 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.16 25.96 20.21 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.551 1.157 . . . . 64.010000000000005 111.006 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.2 t -86.44 161.7 18.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 74.510000000000005 110.406 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -93.92 30.5 1.83 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 71.340000000000003 109.298 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.8 ttp -114.35 76.56 1.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.183 . . . . 75.049999999999997 111.048 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.458 ' CG2' ' O ' ' A' ' 81' ' ' ILE . 2.2 tp -52.43 115.54 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 73.129999999999995 109.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -170.66 161.43 7.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 74.409999999999997 110.981 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.1 m -110.1 -32.3 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 72.200000000000003 109.317 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.39 160.72 11.25 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.507 1.129 . . . . 73.519999999999996 111.053 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.4 mt -98.43 143.98 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.74 . . . . 73.430000000000007 109.257 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.412 ' N ' ' CD ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -97.86 -46.0 6.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 74.439999999999998 109.283 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -60.41 140.99 56.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 74.420000000000002 109.25 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -89.45 -51.61 5.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.586 1.178 . . . . 73.519999999999996 109.27 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -53.31 -36.62 61.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 73.439999999999998 110.287 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -60.8 -29.47 69.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 64.239999999999995 110.29 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 79.1 mtm-85 -86.81 -31.14 21.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 75.239999999999995 110.275 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.68 -16.1 62.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 64.010000000000005 109.301 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -105.86 -43.07 4.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 75.329999999999998 109.299 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.452 HD12 ' CD2' ' A' ' 68' ' ' LEU . 2.0 tm? -58.64 -30.64 67.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 75.239999999999995 109.308 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 34.3 mt -85.95 -42.02 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 73.239999999999995 109.287 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.97 -20.93 6.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 72.299999999999997 109.327 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.566 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -92.78 -60.5 1.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 74.519999999999996 110.96 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.465 ' CD1' HMB2 ' A' ' 500' ' ' HEC . 12.3 mt -49.62 -29.09 6.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 73.239999999999995 109.274 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.562 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 11.7 pttp -72.23 -35.95 69.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 74.099999999999994 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 97' ' ' TYR . 45.7 tttm -86.54 -15.39 40.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 72.120000000000005 109.256 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.529 ' HB1' ' CE1' ' A' ' 97' ' ' TYR . . . -89.17 -16.0 32.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 75.140000000000001 109.323 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 64.3 p -119.76 36.9 4.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 73.420000000000002 110.396 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -128.11 -46.54 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 74.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 74.299999999999997 110.279 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.465 HMB2 ' CD1' ' A' ' 98' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.971 -0.852 . . . . 61.299999999999997 110.971 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -42.72 154.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 74.519999999999996 109.348 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 6' ' ' GLY . 0.2 OUTLIER -116.2 -52.82 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.589 1.181 . . . . 75.340000000000003 109.312 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -38.01 -56.87 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 73.120000000000005 110.251 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -46.93 -46.58 21.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 75.510000000000005 109.264 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -73.02 -23.85 77.04 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 72.040000000000006 111.035 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.575 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 16.0 tttm -71.3 -24.03 62.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 75.299999999999997 109.299 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -88.6 -39.84 13.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 65.219999999999999 109.306 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.459 ' CG2' ' CE ' ' A' ' 13' ' ' LYS . 38.3 mt -73.49 -29.4 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.591 1.182 . . . . 74.319999999999993 109.314 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.547 ' CZ ' HG12 ' A' ' 20' ' ' VAL . 12.2 t80 -68.04 -21.94 64.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.416 1.073 . . . . 73.319999999999993 110.981 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 15' ' ' SER . 90.0 mt -85.71 -63.3 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 74.439999999999998 109.299 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -52.3 -20.1 2.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 74.120000000000005 110.972 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.459 ' CE ' ' CG2' ' A' ' 9' ' ' ILE . 30.7 mttm -107.04 -43.0 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 74.310000000000002 109.277 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -126.34 75.89 1.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 71.230000000000004 108.357 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.7 t -116.0 151.88 34.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 63.310000000000002 110.052 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 45.45 33.3 1.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 73.530000000000001 110.289 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.4 m -139.24 -59.28 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 75.409999999999997 108.29 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -102.51 129.56 49.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.147 . . . . 64.329999999999998 109.554 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.492 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 15.0 p -91.55 -29.6 16.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 73.310000000000002 110.412 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.547 HG12 ' CZ ' ' A' ' 10' ' ' PHE . 35.9 m 46.43 29.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.41 1.069 . . . . 75.129999999999995 109.272 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -95.85 -175.1 3.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 64.120000000000005 110.302 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -104.82 -24.81 12.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 75.049999999999997 109.29 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -138.07 13.58 3.57 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.444 1.09 . . . . 62.509999999999998 111.052 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.27 134.09 31.06 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.988 -0.845 . . . . 42.539999999999999 110.988 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.75 176.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 0.749 . . . . 71.510000000000005 109.282 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -98.95 77.67 2.22 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.483 1.114 . . . . 74.519999999999996 109.622 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -64.96 -167.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 74.230000000000004 109.231 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 p -38.4 -34.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 72.129999999999995 110.399 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -115.53 155.79 16.07 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.519 1.137 . . . . 73.329999999999998 111.042 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.87 154.0 42.86 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.451 1.763 . . . . 64.109999999999999 111.057 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -75.53 161.36 29.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 72.230000000000004 109.279 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.68 103.0 5.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 75.230000000000004 109.332 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -114.12 -55.75 2.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 64.430000000000007 109.626 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.03 30.67 9.91 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.518 1.136 . . . . 75.209999999999994 110.991 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.427 ' HB3' ' CG2' ' A' ' 102' ' ' THR . 17.4 tp -42.0 -75.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.777 . . . . 74.120000000000005 109.318 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.624 ' CE2' ' NZ ' ' A' ' 99' ' ' LYS . 77.5 m-85 -64.53 114.22 4.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 72.530000000000001 110.959 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.62 29.06 7.58 Favored Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.512 1.133 . . . . 54.109999999999999 110.99 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -146.47 153.75 40.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 74.230000000000004 110.335 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -81.73 174.11 11.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 73.120000000000005 109.237 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 45.6 p -84.93 148.5 26.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 75.439999999999998 110.392 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.563 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 62.68 45.5 95.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.123 . . . . 62.5 110.986 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 43' ' ' ALA . 64.8 mm-40 -97.22 -35.14 10.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 0.786 . . . . 74.219999999999999 110.313 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.472 ' HB1' ' CE1' ' A' ' 48' ' ' TYR . . . -39.51 99.94 0.2 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 73.209999999999994 109.33 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.0 Cg_endo -75.08 -1.19 10.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 71.209999999999994 110.96 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.04 -24.11 12.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 63.409999999999997 111.058 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -154.6 112.13 3.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.559 0.799 . . . . 73.200000000000003 110.976 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.4 p -76.35 140.77 41.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 74.420000000000002 109.966 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.563 ' CD2' ' HA2' ' A' ' 41' ' ' GLY . 3.2 m-30 -91.36 -177.12 4.75 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.569 1.168 . . . . 74.5 111.007 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.7 p -53.73 174.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 75.150000000000006 110.376 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.29 -16.14 56.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 65.450000000000003 109.319 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.28 -58.94 2.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 73.129999999999995 109.318 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -38.13 75.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 72.120000000000005 109.265 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -66.02 -31.84 72.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 75.030000000000001 109.332 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.523 HD21 ' N ' ' A' ' 54' ' ' ASN . 1.2 m-80 -90.61 16.06 9.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 73.209999999999994 109.2 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 57' ' ' ILE . 9.4 tptp -102.66 48.65 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 71.129999999999995 109.296 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.73 85.39 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.46 1.1 . . . . 74.099999999999994 111.031 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 55' ' ' LYS . 2.2 pp -150.39 138.1 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 74.010000000000005 109.294 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.9 mm -70.99 135.64 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 74.329999999999998 109.357 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -76.54 164.28 26.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 75.239999999999995 107.971 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 170.31 175.72 39.32 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.466 1.104 . . . . 64.519999999999996 110.994 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.467 ' HG3' ' CE ' ' A' ' 99' ' ' LYS . 42.3 mt-10 -60.48 -31.67 70.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 0.791 . . . . 71.140000000000001 110.308 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -73.05 -64.45 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 64.109999999999999 109.207 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.438 ' O ' ' CB ' ' A' ' 67' ' ' TYR . 49.7 p -54.1 -29.33 44.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 73.219999999999999 110.372 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.8 mt -75.49 -47.36 27.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.589 1.18 . . . . 75.519999999999996 109.271 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.9 mmt -45.1 -58.67 3.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 75.319999999999993 110.932 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 69' ' ' GLU . 0.5 OUTLIER -66.87 -59.62 3.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 74.209999999999994 110.275 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.438 ' CB ' ' O ' ' A' ' 63' ' ' THR . 55.9 t80 -41.05 -31.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 73.530000000000001 110.982 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.9 mt -79.73 -46.88 16.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.112 . . . . 71.439999999999998 109.283 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 66' ' ' GLU . 33.6 tt0 -49.6 -29.11 6.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 72.120000000000005 110.243 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -173.62 90.31 0.36 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 64.519999999999996 109.262 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 -4.9 16.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.496 1.788 . . . . 74.420000000000002 111.001 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -89.69 -18.58 26.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 72.430000000000007 109.318 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.453 ' N ' ' CD ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -98.71 -24.38 15.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 74.439999999999998 109.282 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -82.99 -32.27 27.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 73.430000000000007 110.979 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.1 mt -139.4 88.85 12.46 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 74.530000000000001 109.343 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 122.61 7.32 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.5 1.789 . . . . 75.430000000000007 111.021 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.84 30.97 8.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.597 1.186 . . . . 64.010000000000005 111.011 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.8 t -98.78 166.14 11.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 0.794 . . . . 74.510000000000005 110.36 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -82.34 -18.69 41.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.593 1.183 . . . . 71.340000000000003 109.334 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 63.3 mmm -48.29 106.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 75.049999999999997 111.025 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.5 mt -105.49 90.38 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 73.129999999999995 109.314 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.403 ' CZ ' ' O ' ' A' ' 83' ' ' VAL . 43.3 t80 -174.59 147.55 1.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 74.409999999999997 110.989 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.403 ' O ' ' CZ ' ' A' ' 82' ' ' PHE . 27.2 m -93.86 136.51 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 72.200000000000003 109.303 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -45.0 159.0 0.17 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 73.519999999999996 110.931 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.6 mt -87.64 156.29 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 0.752 . . . . 73.430000000000007 109.292 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -96.44 -48.18 5.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 74.439999999999998 109.295 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -67.6 146.16 54.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 74.420000000000002 109.245 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -89.81 -38.79 13.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 73.519999999999996 109.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 92' ' ' ALA . 32.1 tt0 -64.68 -47.23 79.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 73.439999999999998 110.291 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -49.06 -27.31 3.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 64.239999999999995 110.331 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -85.18 -30.36 23.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 75.239999999999995 110.26 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 89' ' ' GLU . . . -67.35 -42.61 83.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 64.010000000000005 109.27 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -71.4 -54.54 10.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 75.329999999999998 109.312 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.401 ' CD1' ' HB2' ' A' ' 10' ' ' PHE . 48.0 tp -46.06 -44.77 15.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 75.239999999999995 109.289 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 73.6 mt -69.74 -51.69 38.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 73.239999999999995 109.256 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -40.58 -43.28 1.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 72.299999999999997 109.308 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.586 ' C ' ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -69.4 -64.36 0.89 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.487 1.117 . . . . 74.519999999999996 111.058 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 97' ' ' TYR . 12.1 mt -40.58 -29.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 73.239999999999995 109.246 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.624 ' NZ ' ' CE2' ' A' ' 36' ' ' PHE . 33.9 mttm -65.96 -54.34 27.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 74.099999999999994 109.331 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 97' ' ' TYR . 32.7 tttt -72.22 -15.32 61.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 72.120000000000005 109.294 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.487 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -73.98 -57.12 4.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 75.140000000000001 109.356 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.427 ' CG2' ' HB3' ' A' ' 35' ' ' LEU . 28.3 p -77.83 0.64 23.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 73.420000000000002 110.413 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -75.68 -31.07 59.59 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 74.0 109.255 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.401 1.063 . . . . 74.299999999999997 110.33 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.542 ' CHA' ' O1A' ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.109 -0.797 . . . . 61.299999999999997 111.109 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.41 ' CB ' ' HE2' ' A' ' 5' ' ' LYS . 1.0 OUTLIER -56.86 165.21 1.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.759 . . . . 74.519999999999996 109.299 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.45 ' CG1' ' HA ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -117.26 -52.94 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 75.340000000000003 109.24 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -41.82 -50.02 4.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 73.120000000000005 110.215 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.41 ' HE2' ' CB ' ' A' ' 2' ' ' ASP . 1.1 mppt? -53.51 -41.65 66.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.587 1.18 . . . . 75.510000000000005 109.283 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -81.74 -16.87 71.87 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.594 1.184 . . . . 72.040000000000006 111.021 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.565 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 10.5 tptm -76.05 -47.18 25.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 0.782 . . . . 75.299999999999997 109.231 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -65.13 -37.46 87.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 65.219999999999999 109.282 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.454 ' CG2' ' HD2' ' A' ' 13' ' ' LYS . 71.9 mt -66.14 -49.75 73.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 74.319999999999993 109.31 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.57 ' CE1' HG13 ' A' ' 20' ' ' VAL . 52.1 t80 -60.14 -39.76 87.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 73.319999999999993 111.006 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.432 ' CD1' ' HG3' ' A' ' 7' ' ' LYS . 75.5 mt -73.76 -10.48 13.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.581 1.176 . . . . 74.439999999999998 109.249 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.4 mtt -113.41 -4.61 13.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 74.120000000000005 110.933 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.454 ' HD2' ' CG2' ' A' ' 9' ' ' ILE . 36.5 mttm -123.7 -56.36 1.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 74.310000000000002 109.305 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -121.05 77.03 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 71.230000000000004 108.258 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.26 6.85 8.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 63.310000000000002 109.98 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -116.82 -35.77 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 73.530000000000001 110.289 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 89.0 m -95.74 -81.68 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 75.409999999999997 108.275 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.544 ' ND1' ' CD1' ' A' ' 32' ' ' LEU . 96.7 m-70 -64.66 143.08 58.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 64.329999999999998 109.608 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.495 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 41.7 p -115.62 -33.57 5.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 73.310000000000002 110.457 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.57 HG13 ' CE1' ' A' ' 10' ' ' PHE . 6.4 m 49.51 28.27 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 75.129999999999995 109.348 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -132.81 137.37 46.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.073 . . . . 64.120000000000005 110.337 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.9 pttt -63.08 -40.26 97.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 75.049999999999997 109.333 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.69 -13.16 37.73 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.447 1.092 . . . . 62.509999999999998 110.98 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.29 170.57 25.97 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.97 -0.852 . . . . 42.539999999999999 110.97 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -132.26 -174.03 3.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.749 . . . . 71.510000000000005 109.303 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.5 ' CD2' ' HB2' ' A' ' 31' ' ' ASN . 4.1 m170 -84.94 128.86 34.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 74.519999999999996 109.551 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.8 mtmm -131.31 -97.05 0.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 74.230000000000004 109.334 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.7 m -69.97 -33.43 72.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 72.129999999999995 110.419 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.01 -170.57 12.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.419 1.074 . . . . 73.329999999999998 111.029 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 150.04 37.76 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.55 1.816 . . . . 64.109999999999999 111.078 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.5 ' HB2' ' CD2' ' A' ' 26' ' ' HIS . 12.2 t-20 -79.6 118.3 21.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 72.230000000000004 109.243 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.544 ' CD1' ' ND1' ' A' ' 18' ' ' HIS . 2.4 mp -65.83 75.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 75.230000000000004 109.278 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' ASN . 79.1 t60 -110.03 -68.21 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 64.430000000000007 109.577 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.09 25.47 27.7 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.535 1.147 . . . . 75.209999999999994 110.981 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.464 ' HB3' ' CG2' ' A' ' 102' ' ' THR . 7.5 tp -40.48 -75.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 0.743 . . . . 74.120000000000005 109.28 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.567 ' CD1' ' HA ' ' A' ' 99' ' ' LYS . 14.0 m-85 -64.71 156.7 29.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.45 1.094 . . . . 72.530000000000001 110.973 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.04 0.72 66.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.483 1.114 . . . . 54.109999999999999 110.957 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.9 ttm-85 -123.79 162.31 23.46 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 0.784 . . . . 74.230000000000004 110.292 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.42 ' CD ' HD12 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -84.44 178.59 7.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 73.120000000000005 109.292 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.1 p -84.45 117.05 23.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 75.439999999999998 110.415 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.538 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 81.56 54.72 3.4 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.119 . . . . 62.5 110.946 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 43' ' ' ALA . 78.9 mm-40 -109.17 -32.21 7.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 74.219999999999999 110.355 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.486 ' HB1' ' CZ ' ' A' ' 48' ' ' TYR . . . -39.63 99.97 0.21 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 73.209999999999994 109.276 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.401 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.0 Cg_endo -75.02 -1.04 10.71 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.506 1.793 . . . . 71.209999999999994 110.994 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.84 -40.35 3.6 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 63.409999999999997 111.009 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.582 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 11.9 t80 -129.5 85.27 2.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 0.764 . . . . 73.200000000000003 110.995 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.5 m -60.87 123.11 16.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 74.420000000000002 110.06 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 46' ' ' TYR . 2.2 m-30 -79.76 -174.65 4.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 74.5 110.976 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.4 p -67.73 -175.48 0.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 75.150000000000006 110.405 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.77 13.63 17.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 65.450000000000003 109.297 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.54 -56.52 2.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 73.129999999999995 109.272 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.495 ' OD1' ' CD1' ' A' ' 75' ' ' ILE . 1.0 OUTLIER -79.77 -29.67 40.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 72.120000000000005 109.339 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -68.89 -16.47 63.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 75.030000000000001 109.391 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -75.23 -43.49 51.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 73.209999999999994 109.301 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -49.95 158.62 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 71.129999999999995 109.29 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.63 14.47 2.45 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 74.099999999999994 110.986 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 pp -92.86 164.87 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.743 . . . . 74.010000000000005 109.319 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.42 HD12 ' CD ' ' A' ' 39' ' ' LYS . 3.1 mm -91.0 144.46 9.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 74.329999999999998 109.327 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.419 ' CB ' HD13 ' A' ' 35' ' ' LEU . 7.3 m95 -79.55 116.75 19.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.605 1.19 . . . . 75.239999999999995 108.004 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.499 ' HA2' ' CE2' ' A' ' 36' ' ' PHE . . . -132.02 -175.88 14.18 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.598 1.187 . . . . 64.519999999999996 110.928 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -72.66 -26.15 61.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 0.775 . . . . 71.140000000000001 110.253 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -71.94 -69.16 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 64.109999999999999 109.229 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 66.4 p -45.35 -43.3 10.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 73.219999999999999 110.329 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.491 ' CD2' ' CMA' ' A' ' 500' ' ' HEC . 42.7 mt -65.09 -55.1 20.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 75.519999999999996 109.271 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 31.9 tpp -46.88 -28.12 1.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 75.319999999999993 111.02 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -95.51 -23.72 16.97 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 74.209999999999994 110.289 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.601 ' CE1' ' CB ' ' A' ' 71' ' ' PRO . 18.0 t80 -73.33 -56.08 5.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 73.530000000000001 110.974 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -46.82 -40.55 13.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 71.439999999999998 109.35 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -53.78 -46.41 71.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 72.120000000000005 110.331 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -161.07 79.47 2.23 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 64.519999999999996 109.259 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.601 ' CB ' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.97 0.27 9.09 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.551 1.816 . . . . 74.420000000000002 111.054 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -86.14 -20.43 28.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 72.430000000000007 109.273 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.2 pttp -95.36 -42.99 8.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 74.439999999999998 109.296 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -49.78 -42.79 47.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 73.430000000000007 111.041 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.495 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 8.6 mt -137.13 89.68 16.32 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.633 1.208 . . . . 74.530000000000001 109.264 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.04 3.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.522 1.801 . . . . 75.430000000000007 110.969 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.58 7.87 13.15 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 64.010000000000005 111.02 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.4 t -75.88 164.73 25.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 0.805 . . . . 74.510000000000005 110.426 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -88.05 -15.77 35.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 71.340000000000003 109.302 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.468 ' CE ' ' NB ' ' A' ' 500' ' ' HEC . 1.3 tpt -43.67 140.38 1.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 75.049999999999997 111.001 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.413 ' N ' ' HG3' ' A' ' 80' ' ' MET . 12.3 mm -125.09 107.22 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 73.129999999999995 109.367 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -170.84 176.06 4.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 74.409999999999997 110.955 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.428 ' CG2' ' N ' ' A' ' 84' ' ' GLY . 23.7 m -116.27 -53.49 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.447 1.092 . . . . 72.200000000000003 109.322 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.428 ' N ' ' CG2' ' A' ' 83' ' ' VAL . . . 136.32 155.22 7.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.11 . . . . 73.519999999999996 110.993 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.425 ' O ' ' NH1' ' A' ' 91' ' ' ARG . 18.5 mt -98.55 151.69 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 73.430000000000007 109.327 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -92.36 -68.12 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 74.439999999999998 109.267 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.441 ' O ' ' NH1' ' A' ' 91' ' ' ARG . 34.4 mtpt -45.85 150.12 0.57 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 74.420000000000002 109.302 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -87.69 -56.23 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 73.519999999999996 109.275 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -56.83 -36.38 69.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 73.439999999999998 110.346 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -55.24 -18.61 6.39 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.522 1.139 . . . . 64.239999999999995 110.365 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.464 ' O ' ' CG1' ' A' ' 95' ' ' ILE . 77.0 mtm-85 -98.75 -31.23 11.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 75.239999999999995 110.252 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.76 -17.94 64.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 64.010000000000005 109.288 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -91.05 -53.84 4.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 75.329999999999998 109.271 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 10' ' ' PHE . 19.0 tp -61.2 -30.5 70.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 75.239999999999995 109.379 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.464 ' CG1' ' O ' ' A' ' 91' ' ' ARG . 61.7 mt -83.43 -13.59 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 73.239999999999995 109.317 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -86.63 -37.85 17.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 72.299999999999997 109.282 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.565 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -81.41 -35.15 31.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 74.519999999999996 110.988 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.476 ' CD1' HMB2 ' A' ' 500' ' ' HEC . 20.4 mt -72.42 -33.97 67.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.415 1.072 . . . . 73.239999999999995 109.316 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.567 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 14.0 pttp -76.17 -32.95 59.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 74.099999999999994 109.216 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.8 ttpp -86.63 -23.39 25.7 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.476 1.11 . . . . 72.120000000000005 109.234 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 97' ' ' TYR . . . -69.89 -28.26 65.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 75.140000000000001 109.278 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.464 ' CG2' ' HB3' ' A' ' 35' ' ' LEU . 35.2 p -104.24 13.66 31.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 73.420000000000002 110.362 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -104.84 -47.28 4.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 74.0 109.262 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 74.299999999999997 110.3 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.491 ' CMA' ' CD2' ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.012 -0.835 . . . . 61.299999999999997 111.012 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -75.5 -179.41 4.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 0.73 . . . . 74.519999999999996 109.276 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.455 HG23 ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -110.34 -50.78 6.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.541 1.151 . . . . 75.340000000000003 109.214 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -47.56 -37.71 12.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 73.120000000000005 110.322 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.451 ' N ' ' CD ' ' A' ' 5' ' ' LYS . 1.2 mptm? -64.74 -34.79 79.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 75.510000000000005 109.326 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -91.38 -11.32 61.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.456 1.098 . . . . 72.040000000000006 110.958 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.575 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 18.1 tttt -76.29 -22.09 55.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.413 0.714 . . . . 75.299999999999997 109.24 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -93.74 -22.3 18.8 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.554 1.158 . . . . 65.219999999999999 109.348 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.9 mt -91.12 -16.78 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 74.319999999999993 109.298 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.501 ' CZ ' ' CG1' ' A' ' 20' ' ' VAL . 19.7 t80 -84.6 -27.68 27.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 73.319999999999993 111.063 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 15' ' ' SER . 46.8 mt -83.93 -68.63 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 74.439999999999998 109.334 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' ILE . 40.7 mmm -37.81 -30.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 74.120000000000005 110.973 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 11' ' ' ILE . 10.2 mtpp -101.93 -61.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 74.310000000000002 109.292 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -100.03 66.76 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 71.230000000000004 108.259 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.5 t -105.6 144.69 32.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 63.310000000000002 109.969 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 15' ' ' SER . 82.8 mt-30 38.96 34.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 73.530000000000001 110.286 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.0 m -133.46 -69.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 75.409999999999997 108.305 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -98.33 112.03 24.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 64.329999999999998 109.597 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 p -87.58 162.84 16.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.419 1.075 . . . . 73.310000000000002 110.434 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.501 ' CG1' ' CZ ' ' A' ' 10' ' ' PHE . 1.5 m -136.16 15.83 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 75.129999999999995 109.27 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -92.82 140.52 29.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 64.120000000000005 110.296 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.465 ' HG2' ' CE1' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -56.25 -59.07 5.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.444 1.09 . . . . 75.049999999999997 109.295 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.09 -11.6 84.71 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.504 1.127 . . . . 62.509999999999998 111.003 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -42.57 142.85 1.44 Allowed Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.014 -0.834 . . . . 42.539999999999999 111.014 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.4 pttt -107.54 163.25 13.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 71.510000000000005 109.292 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.451 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 80.7 m-70 -72.72 121.37 19.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 74.519999999999996 109.563 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -100.93 -100.02 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 74.230000000000004 109.308 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.0 m -85.89 -14.45 44.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 72.129999999999995 110.415 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -159.53 -167.83 20.71 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.465 1.103 . . . . 73.329999999999998 110.934 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 148.72 35.85 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 64.109999999999999 111.02 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -84.04 129.32 34.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 72.230000000000004 109.303 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.411 HD13 ' N ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -89.03 81.73 6.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.403 1.064 . . . . 75.230000000000004 109.303 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.465 ' CE1' ' HG2' ' A' ' 22' ' ' LYS . 22.7 t60 -105.45 -53.9 2.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 64.430000000000007 109.613 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' LEU . . . -102.03 32.44 7.53 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.55 1.156 . . . . 75.209999999999994 110.966 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 34' ' ' GLY . 49.3 tp -40.46 -75.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.754 . . . . 74.120000000000005 109.345 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -60.29 109.53 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 72.530000000000001 110.985 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.23 38.3 4.08 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.459 1.1 . . . . 54.109999999999999 110.953 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.9 ttm-85 -146.88 134.32 20.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 74.230000000000004 110.276 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.462 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 14.2 mtmt -74.2 167.65 21.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 73.120000000000005 109.244 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.449 HG21 ' CE2' ' A' ' 59' ' ' TRP . 11.9 p -79.95 126.28 30.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.519 1.137 . . . . 75.439999999999998 110.353 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.461 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 78.75 39.94 19.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.478 1.111 . . . . 62.5 111.003 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 43' ' ' ALA . 46.9 mm-40 -104.24 -21.11 13.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 74.219999999999999 110.238 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.441 ' CB ' ' OH ' ' A' ' 48' ' ' TYR . . . -39.5 99.84 0.2 Allowed Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 73.209999999999994 109.3 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -74.94 58.2 4.77 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.52 1.8 . . . . 71.209999999999994 110.996 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.17 -40.32 0.03 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.52 1.138 . . . . 63.409999999999997 110.971 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.451 ' HB2' ' CD2' ' A' ' 26' ' ' HIS . 6.7 t80 -129.48 121.61 27.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.783 . . . . 73.200000000000003 111.0 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.8 m -88.28 140.29 29.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 74.420000000000002 109.994 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.529 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 2.6 m-30 -95.85 -171.62 2.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.08 . . . . 74.5 111.015 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.457 ' CG2' ' HG2' ' A' ' 79' ' ' LYS . 18.7 p -62.28 170.1 2.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 75.150000000000006 110.378 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.77 -15.14 59.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.605 1.191 . . . . 65.450000000000003 109.32 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.414 ' HA ' ' ND2' ' A' ' 54' ' ' ASN . . . -92.14 -15.8 27.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 73.129999999999995 109.318 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.4 -30.3 11.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 72.120000000000005 109.284 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -64.9 -63.06 1.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 1.101 . . . . 75.030000000000001 109.348 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.414 ' ND2' ' HA ' ' A' ' 51' ' ' ALA . 10.5 p30 -41.08 -31.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 73.209999999999994 109.327 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -40.63 116.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 71.129999999999995 109.295 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -120.45 75.57 0.32 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 74.099999999999994 110.993 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.415 ' CD1' ' OH ' ' A' ' 74' ' ' TYR . 4.5 pt -144.13 -179.73 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.408 0.711 . . . . 74.010000000000005 109.413 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.462 ' CD1' ' HG3' ' A' ' 39' ' ' LYS . 3.8 mm -127.74 118.25 48.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 74.329999999999998 109.254 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.449 ' CE2' HG21 ' A' ' 40' ' ' THR . 71.6 m95 -61.47 151.9 31.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 75.239999999999995 108.068 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.484 ' O ' ' CD1' ' A' ' 64' ' ' LEU . . . -168.54 -152.74 7.84 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.51 1.132 . . . . 64.519999999999996 110.925 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.482 ' O ' ' CG ' ' A' ' 65' ' ' MET . 1.8 tt0 -86.9 -24.64 24.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 0.747 . . . . 71.140000000000001 110.278 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -91.49 -59.17 2.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 64.109999999999999 109.33 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 63.7 p -47.66 -29.56 3.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 73.219999999999999 110.356 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.484 ' CD1' ' O ' ' A' ' 60' ' ' GLY . 59.8 mt -84.86 -37.11 21.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.107 . . . . 75.519999999999996 109.318 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.482 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 2.7 mmt -56.52 -16.67 6.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 75.319999999999993 111.009 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -104.99 -62.46 1.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 74.209999999999994 110.302 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.505 ' CE2' HMA3 ' A' ' 500' ' ' HEC . 33.4 t80 -39.12 -60.25 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 73.530000000000001 111.049 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.551 ' CB ' ' NH1' ' A' ' 91' ' ' ARG . 1.6 mp -60.03 -40.23 88.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 71.439999999999998 109.322 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -59.52 -29.33 67.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 72.120000000000005 110.317 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 179.54 88.93 0.18 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 64.519999999999996 109.276 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.99 -17.35 19.65 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.53 1.805 . . . . 74.420000000000002 110.98 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -63.45 -18.45 63.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 72.430000000000007 109.335 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -108.88 6.0 24.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 74.439999999999998 109.349 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.415 ' OH ' ' CD1' ' A' ' 57' ' ' ILE . 1.7 t80 -110.04 -63.03 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 73.430000000000007 110.994 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.7 mt -126.61 83.67 64.35 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 74.530000000000001 109.353 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 119.06 5.49 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.519 1.8 . . . . 75.430000000000007 110.932 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.63 -17.67 12.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 64.010000000000005 111.02 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.416 ' OG1' ' CGD' ' A' ' 500' ' ' HEC . 8.9 t -45.19 158.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 0.74 . . . . 74.510000000000005 110.399 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.457 ' HG2' ' CG2' ' A' ' 49' ' ' THR . 0.9 OUTLIER -107.74 39.11 2.0 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 71.340000000000003 109.263 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.0 ttt -110.21 102.87 11.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 75.049999999999997 110.956 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.9 mm -62.01 118.77 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 73.129999999999995 109.322 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.402 ' CZ ' ' NZ ' ' A' ' 13' ' ' LYS . 8.4 t80 -172.32 178.32 2.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 74.409999999999997 111.019 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.0 m -130.24 -51.5 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 72.200000000000003 109.397 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 136.04 174.81 13.51 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.474 1.109 . . . . 73.519999999999996 110.978 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.406 ' HB ' ' CG ' ' A' ' 91' ' ' ARG . 6.1 mt -124.56 96.71 3.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.552 0.795 . . . . 73.430000000000007 109.246 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -67.59 -23.78 65.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 74.439999999999998 109.264 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.25 110.24 13.09 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.128 . . . . 74.420000000000002 109.301 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -67.06 -34.85 78.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.591 1.182 . . . . 73.519999999999996 109.215 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -58.38 -60.69 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 73.439999999999998 110.335 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -60.7 -21.96 63.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.176 . . . . 64.239999999999995 110.288 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.551 ' NH1' ' CB ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -79.21 -33.34 43.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 75.239999999999995 110.268 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -87.36 -8.23 56.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 64.010000000000005 109.258 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -95.8 -45.03 7.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 75.329999999999998 109.313 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.454 HD21 ' CD1' ' A' ' 98' ' ' LEU . 2.3 tt -54.69 -42.34 71.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 75.239999999999995 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.551 ' CD1' ' NH2' ' A' ' 91' ' ' ARG . 58.0 mt -61.41 -42.06 92.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 73.239999999999995 109.309 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.05 -50.53 27.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 72.299999999999997 109.297 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.575 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 1.9 t80 -70.92 -60.14 2.4 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.544 1.152 . . . . 74.519999999999996 111.018 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.454 ' CD1' HD21 ' A' ' 94' ' ' LEU . 15.4 mt -40.48 -35.26 0.43 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 73.239999999999995 109.257 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -62.68 -53.41 54.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 74.099999999999994 109.289 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 97' ' ' TYR . 8.3 ttmm -71.76 -14.59 62.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 72.120000000000005 109.236 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -86.15 -31.83 21.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 75.140000000000001 109.285 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.6 p -113.07 29.37 8.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 73.420000000000002 110.41 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -116.61 -42.72 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 74.0 109.333 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 74.299999999999997 110.312 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.505 HMA3 ' CE2' ' A' ' 67' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.004 -0.838 . . . . 61.299999999999997 111.004 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -68.36 134.47 50.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.521 0.777 . . . . 74.519999999999996 109.259 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.0 OUTLIER -79.11 -38.85 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 75.340000000000003 109.298 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -51.46 -49.31 61.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 73.120000000000005 110.294 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -55.22 -23.93 24.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 75.510000000000005 109.328 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.403 ' O ' ' CB ' ' A' ' 10' ' ' PHE . . . -100.1 -17.68 24.3 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.486 1.116 . . . . 72.040000000000006 111.029 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.532 ' CD ' ' CZ ' ' A' ' 97' ' ' TYR . 13.5 tptm -64.72 -54.93 23.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 0.786 . . . . 75.299999999999997 109.329 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -59.1 -56.35 23.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 65.219999999999999 109.304 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.44 HG22 ' CD ' ' A' ' 13' ' ' LYS . 59.7 mt -50.64 -44.25 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 74.319999999999993 109.335 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' A' ' 14' ' ' CYS . 18.6 t80 -63.45 -24.47 67.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 73.319999999999993 110.969 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.8 mt -83.65 -67.24 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 74.439999999999998 109.324 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.3 ttp -45.27 -25.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 74.120000000000005 110.99 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.44 ' CD ' HG22 ' A' ' 9' ' ' ILE . 4.8 mtpm? -103.4 -36.79 7.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.405 1.066 . . . . 74.310000000000002 109.319 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -132.72 81.68 1.96 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 71.230000000000004 108.364 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.426 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 6.0 t -113.49 133.28 55.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 63.310000000000002 109.95 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.426 ' CG ' ' O ' ' A' ' 15' ' ' SER . 16.4 pt20 43.27 31.76 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 73.530000000000001 110.308 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.19 -47.23 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 75.409999999999997 108.281 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.432 ' CE1' HD13 ' A' ' 32' ' ' LEU . 7.5 m-70 -109.29 136.9 47.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 64.329999999999998 109.601 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.3 p -109.0 147.5 32.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 73.310000000000002 110.335 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.2 m -133.18 13.97 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 75.129999999999995 109.25 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -75.14 151.81 38.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 64.120000000000005 110.262 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.487 ' CE ' ' O ' ' A' ' 104' ' ' GLU . 5.6 mmmm -68.51 78.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 75.049999999999997 109.299 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.55 21.72 16.12 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.431 1.082 . . . . 62.509999999999998 111.035 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.78 172.91 0.03 OUTLIER Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.959 -0.856 . . . . 42.539999999999999 110.959 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.2 162.2 14.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 0.788 . . . . 71.510000000000005 109.318 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -99.37 134.68 41.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 74.519999999999996 109.592 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -126.83 -100.34 0.37 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 74.230000000000004 109.289 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.04 -22.18 23.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 72.129999999999995 110.423 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.9 157.47 25.35 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.483 1.114 . . . . 73.329999999999998 110.982 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 145.85 32.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.425 1.75 . . . . 64.109999999999999 111.021 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 33' ' ' HIS . 40.6 t-20 -72.79 124.82 26.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.403 1.064 . . . . 72.230000000000004 109.234 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.488 ' O ' ' CG2' ' A' ' 102' ' ' THR . 7.3 mp -95.97 43.15 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 75.230000000000004 109.331 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.449 ' N ' ' OD1' ' A' ' 31' ' ' ASN . 1.1 t-160 -69.98 -39.11 76.14 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.469 1.106 . . . . 64.430000000000007 109.62 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.21 24.67 30.34 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.538 1.149 . . . . 75.209999999999994 110.979 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.6 tp -40.54 -67.74 0.22 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.474 0.749 . . . . 74.120000000000005 109.299 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CE2' ' HD2' ' A' ' 99' ' ' LYS . 43.6 m-85 -74.86 97.52 3.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 72.530000000000001 111.001 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.83 30.65 2.29 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.561 1.163 . . . . 54.109999999999999 110.978 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.4 ttm-85 -146.78 123.12 10.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 0.733 . . . . 74.230000000000004 110.266 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -64.33 170.99 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 73.120000000000005 109.315 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.3 p -75.71 134.29 40.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 75.439999999999998 110.43 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.527 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 67.24 59.66 6.66 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 62.5 110.949 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 44' ' ' PRO . 37.7 mm-40 -113.69 -38.49 4.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 0.776 . . . . 74.219999999999999 110.329 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.446 ' CB ' ' OH ' ' A' ' 48' ' ' TYR . . . -39.56 99.94 0.2 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 73.209999999999994 109.263 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.411 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -75.02 -0.56 10.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.797 . . . . 71.209999999999994 110.978 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.68 -8.04 49.73 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.509 1.13 . . . . 63.409999999999997 111.018 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -166.05 120.77 1.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.748 . . . . 73.200000000000003 111.011 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.1 m -92.07 146.43 23.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 74.420000000000002 110.04 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.623 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -102.2 -175.17 2.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 74.5 110.997 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.401 HG21 ' NZ ' ' A' ' 79' ' ' LYS . 3.1 p -67.96 152.72 45.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 75.150000000000006 110.465 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.76 -24.13 47.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.158 . . . . 65.450000000000003 109.31 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.92 -51.6 66.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 73.129999999999995 109.321 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -74.77 -56.93 4.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 72.120000000000005 109.329 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.7 tttm -40.77 -57.22 1.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 75.030000000000001 109.228 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -41.86 -43.0 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 73.209999999999994 109.301 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' ASN . 9.0 tptt -47.2 145.57 2.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 71.129999999999995 109.289 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.63 75.31 0.32 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.559 1.162 . . . . 74.099999999999994 110.917 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.7 pp -151.53 159.02 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.545 0.791 . . . . 74.010000000000005 109.319 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.1 mm -96.22 146.43 7.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 74.329999999999998 109.31 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -84.98 166.44 16.74 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.017 -1.105 . . . . 75.239999999999995 108.017 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.416 ' O ' ' CD1' ' A' ' 64' ' ' LEU . . . -176.87 -154.97 12.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.519 1.137 . . . . 64.519999999999996 111.013 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -89.26 -23.77 22.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.465 0.744 . . . . 71.140000000000001 110.296 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -88.71 -60.03 2.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 64.109999999999999 109.338 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.4 p -48.0 -25.37 1.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 73.219999999999999 110.38 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.416 ' CD1' ' O ' ' A' ' 60' ' ' GLY . 36.9 mt -86.7 -39.06 16.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 75.519999999999996 109.308 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.8 mmt -56.13 -19.05 11.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 75.319999999999993 110.936 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -102.43 -34.3 9.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 74.209999999999994 110.292 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.546 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 13.7 t80 -69.79 -61.05 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 73.530000000000001 111.015 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mt -42.33 -41.54 2.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 71.439999999999998 109.353 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -54.89 -46.02 74.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 72.120000000000005 110.313 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 67' ' ' TYR . 1.1 p30 -156.31 76.19 4.58 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.606 1.191 . . . . 64.519999999999996 109.271 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.546 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.03 -4.44 15.4 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.565 1.824 . . . . 74.420000000000002 111.025 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.24 -21.65 23.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 72.430000000000007 109.261 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 74' ' ' TYR . 0.1 OUTLIER -92.84 -32.62 14.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 74.439999999999998 109.279 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.408 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 1.2 t80 -62.4 -43.54 98.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 73.430000000000007 110.926 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.7 mt -139.13 90.17 12.06 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.152 . . . . 74.530000000000001 109.254 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 138.07 22.47 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.51 1.795 . . . . 75.430000000000007 111.048 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.76 11.29 71.1 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 64.010000000000005 111.015 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.4 ' OG1' ' CGD' ' A' ' 500' ' ' HEC . 7.9 t -70.98 169.47 14.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 74.510000000000005 110.391 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.401 ' NZ ' HG21 ' A' ' 49' ' ' THR . 24.5 mttm -75.82 -28.9 58.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 71.340000000000003 109.311 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.534 ' CE ' ' NA ' ' A' ' 500' ' ' HEC . 4.2 tpp -43.06 133.23 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 75.049999999999997 110.976 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 27.2 mt -106.27 -28.44 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 73.129999999999995 109.348 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.558 ' CZ ' ' O ' ' A' ' 83' ' ' VAL . 51.3 t80 -59.53 166.92 2.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 74.409999999999997 111.052 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.558 ' O ' ' CZ ' ' A' ' 82' ' ' PHE . 26.1 m -120.15 139.55 47.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.573 1.171 . . . . 72.200000000000003 109.343 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -39.03 155.72 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.435 1.084 . . . . 73.519999999999996 110.997 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.444 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 77.3 mt -82.41 165.83 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 73.430000000000007 109.286 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.444 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 9.2 ptmt -109.17 -37.91 5.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 74.439999999999998 109.346 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -93.65 144.75 25.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 74.420000000000002 109.26 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.1 ptmm? -89.97 -38.34 13.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 73.519999999999996 109.346 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -57.35 -24.24 53.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 73.439999999999998 110.256 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -84.09 -23.16 30.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 64.239999999999995 110.304 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -73.28 -37.2 66.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 75.239999999999995 110.284 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 96' ' ' ALA . . . -70.33 -50.54 38.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.447 1.092 . . . . 64.010000000000005 109.342 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -55.42 -49.58 72.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 75.329999999999998 109.376 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.454 ' CD2' ' HG ' ' A' ' 98' ' ' LEU . 2.1 tt -62.4 -42.65 99.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.393 1.058 . . . . 75.239999999999995 109.278 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 57.7 mt -71.39 -15.35 18.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.548 1.155 . . . . 73.239999999999995 109.339 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 92' ' ' ALA . . . -76.88 -27.88 55.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 72.299999999999997 109.303 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.532 ' CZ ' ' CD ' ' A' ' 7' ' ' LYS . 3.6 t80 -96.84 -31.1 12.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.068 . . . . 74.519999999999996 111.007 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.454 ' HG ' ' CD2' ' A' ' 94' ' ' LEU . 16.0 mt -68.07 -11.84 59.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 73.239999999999995 109.307 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.561 ' HD2' ' CE2' ' A' ' 36' ' ' PHE . 3.6 tptm -98.31 -55.44 2.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 74.099999999999994 109.246 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.32 -37.59 72.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 72.120000000000005 109.278 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.476 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -69.44 -44.18 71.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 75.140000000000001 109.299 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 32' ' ' LEU . 10.9 p -98.22 41.74 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 73.420000000000002 110.443 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -126.83 -52.97 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 74.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.487 ' O ' ' CE ' ' A' ' 22' ' ' LYS . 18.9 mt-10 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 74.299999999999997 110.284 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.626 ' CGD' ' CHA' ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.023 -0.831 . . . . 61.299999999999997 111.023 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -73.85 -179.65 3.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 74.519999999999996 109.264 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.563 HG21 ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -115.82 -52.45 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 75.340000000000003 109.291 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -47.47 -35.22 8.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 73.120000000000005 110.293 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.448 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -66.8 -35.93 81.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 75.510000000000005 109.265 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -90.88 -11.49 61.65 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.546 1.154 . . . . 72.040000000000006 111.057 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.566 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 25.7 tttt -72.27 -21.67 61.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 75.299999999999997 109.26 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -86.33 -43.68 12.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.564 1.165 . . . . 65.219999999999999 109.294 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.468 ' CD1' ' OD2' ' A' ' 93' ' ' ASP . 8.8 mt -67.94 -13.88 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 74.319999999999993 109.302 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.427 ' O ' ' N ' ' A' ' 14' ' ' CYS . 10.0 t80 -86.84 -25.13 24.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 73.319999999999993 110.976 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 13' ' ' LYS . 96.1 mt -82.79 -70.72 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 74.439999999999998 109.319 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.2 mmm -38.47 -30.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 74.120000000000005 110.975 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 11' ' ' ILE . 29.0 mttt -102.16 -65.69 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 74.310000000000002 109.284 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -94.82 61.47 2.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 71.230000000000004 108.327 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.1 p -67.77 -83.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 63.310000000000002 109.95 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -115.85 54.3 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 73.530000000000001 110.361 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m -127.36 -55.17 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 75.409999999999997 108.259 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.417 ' ND1' ' O ' ' A' ' 30' ' ' PRO . 31.3 m-70 -104.54 158.36 16.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 64.329999999999998 109.608 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.9 p -130.65 163.61 26.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 73.310000000000002 110.34 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.8 m -134.23 -52.58 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 75.129999999999995 109.28 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 24' ' ' GLY . 9.4 pt-20 -40.14 137.94 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 64.120000000000005 110.326 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.514 ' HE2' ' CE1' ' A' ' 33' ' ' HIS . 21.4 tptp -44.61 -43.36 8.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 75.049999999999997 109.282 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -91.07 36.43 3.62 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.497 1.123 . . . . 62.509999999999998 111.027 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 21' ' ' GLU . . . -104.02 79.92 0.31 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.0 -0.84 . . . . 42.539999999999999 111.0 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.475 ' CD ' ' O ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -54.54 -174.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 0.764 . . . . 71.510000000000005 109.286 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 6.7 m-70 -90.46 128.13 36.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 74.519999999999996 109.572 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.1 -77.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 74.230000000000004 109.312 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.9 m -101.29 -21.34 14.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 72.129999999999995 110.421 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -153.05 -168.68 17.29 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.422 1.076 . . . . 73.329999999999998 110.987 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.545 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -74.93 140.12 25.27 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.489 1.784 . . . . 64.109999999999999 110.981 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 32' ' ' LEU . 4.6 t-20 -73.6 149.57 41.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 72.230000000000004 109.336 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.468 ' O ' ' CG2' ' A' ' 102' ' ' THR . 2.8 mp -106.2 88.77 2.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.452 1.095 . . . . 75.230000000000004 109.364 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.514 ' CE1' ' HE2' ' A' ' 22' ' ' LYS . 24.5 t-80 -113.59 -54.84 2.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.47 1.106 . . . . 64.430000000000007 109.645 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' LEU . . . -102.12 24.75 30.14 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.411 1.069 . . . . 75.209999999999994 110.964 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 34' ' ' GLY . 56.7 tp -40.52 -76.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 74.120000000000005 109.295 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.641 ' CD2' ' NZ ' ' A' ' 99' ' ' LYS . 52.1 m-85 -58.62 102.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 72.530000000000001 111.071 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.2 27.94 4.86 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 54.109999999999999 111.037 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.432 ' HD3' ' CB ' ' A' ' 42' ' ' GLN . 43.3 ttm-85 -146.87 149.55 33.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 0.738 . . . . 74.230000000000004 110.29 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.447 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 16.0 mtmt -88.11 -174.91 4.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 73.120000000000005 109.292 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 40.4 p -83.18 173.52 11.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 75.439999999999998 110.373 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.528 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 39.02 51.84 2.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.448 1.093 . . . . 62.5 110.987 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.432 ' CB ' ' HD3' ' A' ' 38' ' ' ARG . 90.9 mm-40 -104.59 -46.91 4.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 0.776 . . . . 74.219999999999999 110.319 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.462 ' CB ' ' OH ' ' A' ' 48' ' ' TYR . . . -39.76 100.04 0.21 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.147 . . . . 73.209999999999994 109.306 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.1 Cg_endo -74.99 0.23 9.16 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.602 1.843 . . . . 71.209999999999994 110.999 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.75 -14.12 38.27 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.456 1.098 . . . . 63.409999999999997 110.957 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.558 ' HB2' ' CD2' ' A' ' 26' ' ' HIS . 18.5 t80 -150.26 146.01 26.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.605 0.827 . . . . 73.200000000000003 110.997 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.6 m -113.18 139.54 48.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 74.420000000000002 109.981 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.593 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -100.81 -171.92 2.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 74.5 110.986 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.456 HG22 ' CD ' ' A' ' 79' ' ' LYS . 2.3 p -63.65 177.1 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 75.150000000000006 110.404 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -84.67 -14.45 48.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 65.450000000000003 109.263 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.28 -31.08 20.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 73.129999999999995 109.333 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -74.94 -59.17 2.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.125 . . . . 72.120000000000005 109.322 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' ASN . 4.8 tttm -49.95 -52.71 31.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.573 1.171 . . . . 75.030000000000001 109.324 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -40.59 -36.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 73.209999999999994 109.294 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -62.52 143.25 57.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 71.129999999999995 109.349 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.5 72.7 0.41 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.424 1.078 . . . . 74.099999999999994 111.01 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.1 pp -135.51 154.31 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.416 0.715 . . . . 74.010000000000005 109.293 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.447 ' CD1' ' HG3' ' A' ' 39' ' ' LYS . 3.4 mm -87.92 131.47 35.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 74.329999999999998 109.302 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.532 ' CZ2' HAA2 ' A' ' 500' ' ' HEC . 36.9 m95 -71.75 138.25 48.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.976 -1.12 . . . . 75.239999999999995 107.976 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -151.87 -151.67 5.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.538 1.149 . . . . 64.519999999999996 111.003 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 65' ' ' MET . 27.6 mt-10 -89.3 -39.61 13.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 0.726 . . . . 71.140000000000001 110.337 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -75.29 -51.15 13.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 64.109999999999999 109.275 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 p -57.23 -30.23 64.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 73.219999999999999 110.444 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.426 HD23 ' CE3' ' A' ' 59' ' ' TRP . 84.0 mt -89.06 -33.25 17.2 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.119 . . . . 75.519999999999996 109.285 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.474 ' CB ' ' O ' ' A' ' 61' ' ' GLU . 8.2 ttm -72.86 -15.36 61.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 75.319999999999993 111.019 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -107.94 -23.82 11.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 74.209999999999994 110.256 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 4.2 t80 -84.11 -42.19 16.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 73.530000000000001 111.016 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 16.4 mt -59.41 -46.78 87.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 71.439999999999998 109.319 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 91' ' ' ARG . 14.4 tt0 -42.21 -30.37 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 72.120000000000005 110.266 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -173.18 92.61 0.37 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 64.519999999999996 109.24 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.566 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.96 -0.07 9.51 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.45 1.763 . . . . 74.420000000000002 111.006 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -93.27 -16.99 24.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.077 . . . . 72.430000000000007 109.309 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -93.68 -57.52 2.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 74.439999999999998 109.312 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -52.05 -26.54 11.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 73.430000000000007 110.975 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.6 mt -148.21 90.35 5.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 74.530000000000001 109.349 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 121.13 6.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.537 1.809 . . . . 75.430000000000007 111.011 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.87 -3.51 33.92 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.474 1.109 . . . . 64.010000000000005 110.966 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.488 ' OG1' ' CGD' ' A' ' 500' ' ' HEC . 10.1 t -49.03 177.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 0.746 . . . . 74.510000000000005 110.407 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.456 ' CD ' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -126.91 24.26 6.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.632 1.207 . . . . 71.340000000000003 109.324 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.427 ' HE1' ' CG ' ' A' ' 71' ' ' PRO . 1.9 ttt -99.18 112.14 24.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 75.049999999999997 110.964 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.0 mt -70.47 114.72 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 73.129999999999995 109.266 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -153.22 163.01 40.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 74.409999999999997 110.993 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.0 m -114.01 -49.52 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 72.200000000000003 109.308 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 137.77 169.01 11.5 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.468 1.105 . . . . 73.519999999999996 111.012 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.1 mt -129.78 -50.61 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 73.430000000000007 109.326 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? 55.62 20.83 4.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 74.439999999999998 109.29 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -110.28 153.57 24.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 74.420000000000002 109.264 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -90.38 -64.68 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 73.519999999999996 109.265 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 93' ' ' ASP . 2.4 mp0 -57.1 -53.39 58.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 73.439999999999998 110.281 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.54 -24.22 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 64.239999999999995 110.317 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.456 ' CZ ' ' HB2' ' A' ' 69' ' ' GLU . 39.3 mtm-85 -100.34 -23.76 14.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 75.239999999999995 110.301 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 89' ' ' GLU . . . -89.67 -4.06 57.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 64.010000000000005 109.255 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.468 ' OD2' ' CD1' ' A' ' 9' ' ' ILE . 1.2 p-10 -106.53 -26.93 11.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 75.329999999999998 109.246 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.463 HD12 ' CD1' ' A' ' 98' ' ' LEU . 2.6 tm? -78.15 -42.65 31.06 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.563 1.164 . . . . 75.239999999999995 109.345 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 65.9 mt -66.6 -38.71 82.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 73.239999999999995 109.311 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.77 -55.2 32.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 72.299999999999997 109.257 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.566 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -61.33 -60.45 3.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 74.519999999999996 110.979 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.463 ' CD1' HD12 ' A' ' 94' ' ' LEU . 14.2 mt -40.65 -48.26 2.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 73.239999999999995 109.307 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.641 ' NZ ' ' CD2' ' A' ' 36' ' ' PHE . 3.2 tptt -48.09 -49.13 32.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 74.099999999999994 109.324 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 97' ' ' TYR . 9.4 ttmm -73.25 -25.04 60.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 72.120000000000005 109.329 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.443 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -77.3 -19.79 55.91 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.419 1.074 . . . . 75.140000000000001 109.305 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.468 ' CG2' ' O ' ' A' ' 32' ' ' LEU . 35.7 p -113.68 24.07 12.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 73.420000000000002 110.479 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -108.92 -16.3 14.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 74.0 109.269 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.502 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 16.7 mt-10 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.447 1.092 . . . . 74.299999999999997 110.306 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.532 HAA2 ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.015 -0.834 . . . . 61.299999999999997 111.015 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.62 -177.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 74.519999999999996 109.237 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.432 HG21 ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -117.96 -50.86 4.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 75.340000000000003 109.324 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -50.96 -23.06 2.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 73.120000000000005 110.314 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -76.27 -35.57 58.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 75.510000000000005 109.326 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -94.28 -11.1 57.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.526 1.141 . . . . 72.040000000000006 111.016 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.574 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 12.9 tptm -72.76 -24.13 60.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 75.299999999999997 109.284 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.7 -43.73 15.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 65.219999999999999 109.328 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.7 mt -66.01 -11.37 12.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 74.319999999999993 109.291 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.555 ' CD1' ' HB2' ' A' ' 14' ' ' CYS . 3.9 t80 -87.02 -27.09 23.42 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.61 1.194 . . . . 73.319999999999993 111.007 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 15' ' ' SER . 20.1 mt -80.99 -68.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 74.439999999999998 109.339 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.3 mmt -40.88 -27.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 74.120000000000005 111.012 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.484 ' HD3' ' CE1' ' A' ' 82' ' ' PHE . 24.6 mttt -105.37 -71.8 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 74.310000000000002 109.297 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.555 ' HB2' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -86.87 50.61 2.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 71.230000000000004 108.3 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 11' ' ' ILE . 12.0 t -53.08 -82.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 63.310000000000002 110.042 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -120.36 58.18 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 73.530000000000001 110.261 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.409 ' HA ' ' CG2' ' A' ' 28' ' ' THR . 1.6 m -126.02 -46.59 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 75.409999999999997 108.311 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.44 ' CE1' HD12 ' A' ' 32' ' ' LEU . 88.2 m-70 -108.34 176.6 5.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 64.329999999999998 109.568 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.501 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 2.2 p -118.76 -37.56 3.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 73.310000000000002 110.408 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.507 HG22 ' CZ ' ' A' ' 10' ' ' PHE . 34.5 m 46.79 29.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 75.129999999999995 109.261 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.465 ' HG3' ' CA ' ' A' ' 24' ' ' GLY . 1.6 pt-20 -132.94 140.99 48.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 64.120000000000005 110.248 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -40.37 -55.43 2.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 75.049999999999997 109.299 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.7 41.03 3.07 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.462 1.102 . . . . 62.509999999999998 111.004 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.465 ' CA ' ' HG3' ' A' ' 21' ' ' GLU . . . -76.97 130.4 10.44 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 110.975 -0.85 . . . . 42.539999999999999 110.975 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.4 ' N ' HG22 ' A' ' 19' ' ' THR . 4.0 mmtm -88.23 -169.77 2.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.417 0.716 . . . . 71.510000000000005 109.274 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -120.22 115.58 23.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 74.519999999999996 109.645 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -119.61 -85.67 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 74.230000000000004 109.282 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.409 ' CG2' ' HA ' ' A' ' 17' ' ' CYS . 18.4 p -89.76 -44.19 10.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.394 1.058 . . . . 72.129999999999995 110.347 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -124.85 173.55 17.13 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 73.329999999999998 110.959 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.487 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 18.3 Cg_endo -74.96 142.19 27.69 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.517 1.798 . . . . 64.109999999999999 111.053 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 32' ' ' LEU . 4.3 t-20 -42.9 152.45 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 72.230000000000004 109.291 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.447 ' N ' ' OD1' ' A' ' 31' ' ' ASN . 20.4 mt -125.68 76.95 1.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 75.230000000000004 109.318 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.433 ' N ' ' OD1' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -125.08 -43.64 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 64.430000000000007 109.59 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.408 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -101.2 31.73 8.31 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.5 1.125 . . . . 75.209999999999994 111.016 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.3 tp -57.59 -54.19 49.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.594 0.82 . . . . 74.120000000000005 109.315 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -76.3 122.99 25.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 72.530000000000001 111.077 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.15 43.48 8.69 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 54.109999999999999 111.006 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.408 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 28.5 ttp180 -152.99 163.98 38.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 0.742 . . . . 74.230000000000004 110.286 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.406 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 14.7 mtmt -97.96 -178.19 4.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 73.120000000000005 109.32 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 67.7 p -95.52 146.69 24.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 75.439999999999998 110.456 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.564 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 63.63 59.77 8.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.572 1.17 . . . . 62.5 111.01 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 43' ' ' ALA . 56.4 mm-40 -108.85 -50.03 3.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.596 0.821 . . . . 74.219999999999999 110.272 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.47 ' CB ' ' OH ' ' A' ' 48' ' ' TYR . . . -39.48 99.93 0.2 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 73.209999999999994 109.286 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -75.0 0.14 9.27 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.461 1.769 . . . . 71.209999999999994 110.958 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.29 -23.07 17.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 63.409999999999997 110.937 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.514 ' O ' ' CE1' ' A' ' 48' ' ' TYR . 8.4 t80 -139.78 115.28 9.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 0.757 . . . . 73.200000000000003 111.04 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.3 m -89.03 123.45 33.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 74.420000000000002 110.002 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.629 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -84.31 -170.49 3.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.575 1.172 . . . . 74.5 110.991 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.446 HG21 ' CG ' ' A' ' 79' ' ' LYS . 2.7 p -72.8 168.95 17.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 75.150000000000006 110.451 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.69 -20.65 56.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 65.450000000000003 109.276 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.54 -28.72 65.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 73.129999999999995 109.293 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -96.74 -54.04 3.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 72.120000000000005 109.269 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.0 tttp -43.71 -50.53 7.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 75.030000000000001 109.263 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -53.16 -40.2 64.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 73.209999999999994 109.31 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 52' ' ' ASN . 15.5 tptp -43.62 141.16 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 71.129999999999995 109.363 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.458 ' O ' ' CG2' ' A' ' 57' ' ' ILE . . . -142.62 81.97 0.23 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.415 1.072 . . . . 74.099999999999994 110.995 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.458 ' CG2' ' O ' ' A' ' 56' ' ' GLY . 2.5 pp -155.3 156.9 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 74.010000000000005 109.285 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.0 mm -84.79 138.64 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.158 . . . . 74.329999999999998 109.254 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -78.85 166.79 22.03 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.982 -1.118 . . . . 75.239999999999995 107.982 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 164.49 159.68 11.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.095 . . . . 64.519999999999996 111.0 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.484 ' CB ' ' CG2' ' A' ' 95' ' ' ILE . 5.6 pt-20 -54.06 -32.72 55.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 0.788 . . . . 71.140000000000001 110.259 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.91 -39.91 83.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 64.109999999999999 109.326 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.6 p -81.14 -19.58 43.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 73.219999999999999 110.437 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 72.9 mt -79.65 -24.59 41.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.12 . . . . 75.519999999999996 109.28 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.8 tpt -63.08 -61.38 2.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.177 . . . . 75.319999999999993 111.014 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.98 -37.13 86.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 74.209999999999994 110.31 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.403 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 67.9 t80 -60.11 -65.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 73.530000000000001 110.99 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.5 mt -52.48 -28.84 21.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 71.439999999999998 109.353 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -70.05 -38.45 75.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 72.120000000000005 110.277 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -162.97 80.2 1.67 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 64.519999999999996 109.272 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.403 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -75.04 -1.62 11.47 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.499 1.789 . . . . 74.420000000000002 111.018 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.74 -15.91 52.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 72.430000000000007 109.299 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.08 -41.0 5.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 74.439999999999998 109.343 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -63.68 -37.8 88.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 73.430000000000007 111.036 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.1 mm -133.28 85.89 43.02 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 74.530000000000001 109.339 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 106.56 2.3 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.597 1.84 . . . . 75.430000000000007 110.996 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.2 41.29 2.1 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.535 1.147 . . . . 64.010000000000005 111.007 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 t -95.61 160.5 14.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.776 . . . . 74.510000000000005 110.384 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.446 ' CG ' HG21 ' A' ' 49' ' ' THR . 16.3 mtmm -92.09 -17.16 25.38 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.454 1.096 . . . . 71.340000000000003 109.306 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 7.0 ttt -67.63 102.37 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 75.049999999999997 111.043 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.4 mp -74.71 93.15 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.514 1.134 . . . . 73.129999999999995 109.33 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.484 ' CE1' ' HD3' ' A' ' 13' ' ' LYS . 11.2 t80 -128.97 130.07 46.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 74.409999999999997 110.981 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.1 m -76.51 -38.65 32.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 72.200000000000003 109.302 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.19 160.7 15.5 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.429 1.081 . . . . 73.519999999999996 111.064 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.2 mt -112.98 139.22 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 73.430000000000007 109.314 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.15 -30.53 11.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.107 . . . . 74.439999999999998 109.324 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.413 ' CB ' ' HB2' ' A' ' 90' ' ' GLU . 14.1 mmmt -71.73 135.28 46.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.17 . . . . 74.420000000000002 109.32 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -79.88 -40.83 27.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 73.519999999999996 109.313 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -69.54 -43.01 73.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 73.439999999999998 110.255 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.413 ' HB2' ' CB ' ' A' ' 87' ' ' LYS . 22.4 tt0 -49.94 -24.02 2.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 64.239999999999995 110.233 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 92.3 mtm-85 -97.22 -42.14 7.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 75.239999999999995 110.302 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.89 -34.49 54.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 64.010000000000005 109.333 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 3.8 t0 -74.42 -59.36 2.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 75.329999999999998 109.285 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 18.8 tp -43.19 -65.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 75.239999999999995 109.307 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.484 ' CG2' ' CB ' ' A' ' 61' ' ' GLU . 19.8 mt -40.99 -40.96 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 73.239999999999995 109.341 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 93' ' ' ASP . . . -54.57 -59.2 5.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 72.299999999999997 109.299 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.574 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -60.66 -57.35 13.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 74.519999999999996 110.972 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.595 ' CD1' ' CMB' ' A' ' 500' ' ' HEC . 11.0 mt -51.38 -30.29 18.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.15 . . . . 73.239999999999995 109.327 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 61.4 tttp -71.27 -32.91 69.27 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.454 1.096 . . . . 74.099999999999994 109.312 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 97' ' ' TYR . 7.3 ttpp -89.39 -16.41 31.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 72.120000000000005 109.279 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -81.34 -45.48 16.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 75.140000000000001 109.256 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.1 p -90.68 25.59 2.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 73.420000000000002 110.417 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -110.75 -29.23 8.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 74.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 74.299999999999997 110.326 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.595 ' CMB' ' CD1' ' A' ' 98' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.993 -0.843 . . . . 61.299999999999997 110.993 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -64.38 133.08 51.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 0.785 . . . . 74.519999999999996 109.317 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 6' ' ' GLY . 1.1 m -78.44 -41.74 25.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.158 . . . . 75.340000000000003 109.279 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -45.16 -47.31 12.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 73.120000000000005 110.26 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.49 ' O ' ' CD1' ' A' ' 9' ' ' ILE . 13.6 mptt -57.0 -35.32 69.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 75.510000000000005 109.296 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.465 ' O ' ' CB ' ' A' ' 10' ' ' PHE . . . -88.08 -13.82 63.54 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.133 . . . . 72.040000000000006 111.023 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.571 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 16.0 ttpp -76.48 -41.26 47.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 0.779 . . . . 75.299999999999997 109.281 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.19 -15.64 42.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 65.219999999999999 109.365 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 5' ' ' LYS . 93.2 mt -93.73 -24.66 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 74.319999999999993 109.301 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.465 ' CB ' ' O ' ' A' ' 6' ' ' GLY . 7.8 t80 -73.31 -20.08 60.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 73.319999999999993 110.968 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.3 mt -83.63 -69.47 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 74.439999999999998 109.206 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -48.06 -25.9 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 74.120000000000005 111.002 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -98.0 -35.68 10.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 74.310000000000002 109.286 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -135.26 81.43 1.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 71.230000000000004 108.302 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.0 t -114.12 138.35 50.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 63.310000000000002 110.041 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 40.03 39.11 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 73.530000000000001 110.3 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -134.47 -49.7 0.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 75.409999999999997 108.259 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -115.61 162.15 17.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.406 1.066 . . . . 64.329999999999998 109.573 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.5 p -130.39 158.37 40.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.172 . . . . 73.310000000000002 110.384 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.439 HG11 ' CZ ' ' A' ' 10' ' ' PHE . 3.8 m -132.43 -47.94 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 75.129999999999995 109.338 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.438 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 2.8 pt-20 -70.21 148.51 48.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 64.120000000000005 110.275 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -55.34 -50.7 68.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 75.049999999999997 109.277 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.21 -33.15 37.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.107 . . . . 62.509999999999998 110.969 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.94 94.25 0.98 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.966 -0.854 . . . . 42.539999999999999 110.966 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 164.57 19.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 71.510000000000005 109.384 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.514 ' CD2' ' HB2' ' A' ' 31' ' ' ASN . 8.1 m170 -68.33 131.59 45.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 74.519999999999996 109.568 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -119.17 -101.35 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 74.230000000000004 109.253 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.6 m -69.39 -33.59 73.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 72.129999999999995 110.474 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.19 176.82 20.75 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.5 1.125 . . . . 73.329999999999998 110.94 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.473 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 18.6 Cg_endo -74.93 149.29 36.84 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.498 1.788 . . . . 64.109999999999999 110.968 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.514 ' HB2' ' CD2' ' A' ' 26' ' ' HIS . 9.2 t-20 -64.14 118.2 8.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 72.230000000000004 109.309 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.86 -26.34 3.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 75.230000000000004 109.336 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -41.32 -39.72 1.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 64.430000000000007 109.536 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.88 48.6 1.08 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.488 1.118 . . . . 75.209999999999994 110.969 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.6 tp -89.86 -74.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 0.74 . . . . 74.120000000000005 109.312 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -62.54 114.39 3.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 72.530000000000001 110.942 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.07 40.05 4.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 54.109999999999999 110.985 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.8 ttm-85 -149.14 119.61 7.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 0.781 . . . . 74.230000000000004 110.305 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -63.8 -175.11 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 73.120000000000005 109.336 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.4 p -84.62 122.19 28.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 75.439999999999998 110.39 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.541 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 72.72 57.34 5.45 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.508 1.13 . . . . 62.5 111.015 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 44' ' ' PRO . 65.8 mm-40 -110.67 -36.28 5.77 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 0.795 . . . . 74.219999999999999 110.331 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.54 99.89 0.2 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 73.209999999999994 109.351 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.5 Cg_endo -74.93 -1.51 11.3 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.469 1.773 . . . . 71.209999999999994 111.018 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.52 -10.58 35.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 63.409999999999997 111.029 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -154.94 138.08 15.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.774 . . . . 73.200000000000003 110.973 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.7 m -109.63 144.17 38.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.455 1.097 . . . . 74.420000000000002 110.033 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.603 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 0.7 OUTLIER -103.64 -173.92 2.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 74.5 110.978 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.0 p -66.28 179.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 75.150000000000006 110.393 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.7 11.24 20.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 65.450000000000003 109.359 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.64 -45.1 6.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 73.129999999999995 109.306 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -85.21 -46.8 10.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 72.120000000000005 109.308 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -45.35 -27.7 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 75.030000000000001 109.26 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -70.69 -47.42 59.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 73.209999999999994 109.289 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 52' ' ' ASN . 6.7 tptm -44.29 149.25 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 71.129999999999995 109.345 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.444 ' O ' ' CG2' ' A' ' 57' ' ' ILE . . . -142.58 78.58 0.27 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.421 1.076 . . . . 74.099999999999994 110.931 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 58' ' ' ILE . 2.6 pp -155.11 172.1 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 74.010000000000005 109.281 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.484 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 3.6 mm -92.12 165.1 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 74.329999999999998 109.355 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.532 ' CE3' ' CD2' ' A' ' 64' ' ' LEU . 25.7 m95 -106.99 83.14 1.78 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.508 1.13 . . . . 75.239999999999995 108.016 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -95.17 -157.8 32.56 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.459 1.099 . . . . 64.519999999999996 110.984 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 65' ' ' MET . 1.7 mp0 -87.57 -48.4 7.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 0.751 . . . . 71.140000000000001 110.209 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -63.39 -36.65 84.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 64.109999999999999 109.298 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 48.2 p -64.0 -64.24 0.94 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 73.219999999999999 110.387 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.532 ' CD2' ' CE3' ' A' ' 59' ' ' TRP . 39.9 mt -56.05 -36.13 67.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 75.519999999999996 109.36 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.451 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 2.8 mmt -52.75 -19.56 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 75.319999999999993 111.027 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -105.51 -47.5 3.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 74.209999999999994 110.359 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.452 ' O ' ' N ' ' A' ' 71' ' ' PRO . 5.2 t80 -54.15 -60.88 2.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 73.530000000000001 111.022 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.547 ' CB ' ' NH1' ' A' ' 91' ' ' ARG . 4.7 mt -60.42 -23.58 64.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 71.439999999999998 109.287 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -75.74 -33.33 60.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 72.120000000000005 110.308 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -160.72 73.44 2.79 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.6 1.187 . . . . 64.519999999999996 109.3 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 67' ' ' TYR . 18.5 Cg_endo -74.97 -1.26 10.98 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 74.420000000000002 111.017 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -85.2 -17.09 38.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 72.430000000000007 109.232 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.87 -44.11 4.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 74.439999999999998 109.304 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -53.71 -51.86 61.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.165 . . . . 73.430000000000007 111.038 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.476 ' O ' ' CG2' ' A' ' 78' ' ' THR . 4.4 mt -137.31 88.26 17.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 74.530000000000001 109.301 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 127.26 10.56 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 75.430000000000007 111.011 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.03 -19.82 34.45 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.5 1.125 . . . . 64.010000000000005 110.982 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.476 ' CG2' ' O ' ' A' ' 75' ' ' ILE . 1.5 t -45.77 166.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.789 . . . . 74.510000000000005 110.421 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -88.7 -15.72 34.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 71.340000000000003 109.27 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.416 ' HG2' ' C4D' ' A' ' 500' ' ' HEC . 13.2 mmm -50.15 97.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 75.049999999999997 110.967 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 22.0 mm -77.05 58.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 73.129999999999995 109.223 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.498 ' CZ ' HG13 ' A' ' 85' ' ' ILE . 1.5 t80 -107.06 153.08 23.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 74.409999999999997 110.989 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.2 m -99.76 -28.8 3.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.457 1.098 . . . . 72.200000000000003 109.327 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.72 128.41 5.56 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.575 1.172 . . . . 73.519999999999996 110.996 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.498 HG13 ' CZ ' ' A' ' 82' ' ' PHE . 65.2 mt -84.37 84.92 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 73.430000000000007 109.342 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -42.9 -54.58 4.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 74.439999999999998 109.338 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.6 mmmt -62.74 137.01 58.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 74.420000000000002 109.278 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.46 -25.65 22.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.088 . . . . 73.519999999999996 109.28 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -58.88 -64.63 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 73.439999999999998 110.333 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.94 -20.71 17.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 64.239999999999995 110.274 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.547 ' NH1' ' CB ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -76.94 -37.36 55.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 75.239999999999995 110.293 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 93' ' ' ASP . . . -71.56 -67.2 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 64.010000000000005 109.305 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 96' ' ' ALA . 28.4 m-20 -40.25 -49.31 2.7 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.559 1.162 . . . . 75.329999999999998 109.326 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -44.51 -51.46 8.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 75.239999999999995 109.302 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.546 ' CD1' ' NH2' ' A' ' 91' ' ' ARG . 15.7 mt -64.21 -32.8 58.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 73.239999999999995 109.263 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -52.95 -32.49 46.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 72.299999999999997 109.272 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.571 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 7.3 t80 -95.17 -42.93 8.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 74.519999999999996 111.052 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 25.8 mt -66.51 -13.22 60.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 1.073 . . . . 73.239999999999995 109.284 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 95' ' ' ILE . 61.4 tttm -98.33 -20.24 17.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 74.099999999999994 109.274 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 37.3 tttp -100.89 -14.43 17.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 72.120000000000005 109.292 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -90.16 -28.06 19.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 75.140000000000001 109.301 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.4 p -104.4 23.44 13.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 73.420000000000002 110.438 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -111.36 -16.99 13.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 74.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 74.299999999999997 110.292 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.637 ' CHA' ' CGA' ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.115 -0.794 . . . . 61.299999999999997 111.115 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -71.89 131.64 43.28 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.463 0.743 . . . . 74.519999999999996 109.24 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 6' ' ' GLY . 1.2 m -77.49 -42.43 30.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 75.340000000000003 109.276 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -46.29 -43.06 15.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.622 1.201 . . . . 73.120000000000005 110.275 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -59.85 -35.17 74.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 75.510000000000005 109.25 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -92.79 -6.56 63.61 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.463 1.102 . . . . 72.040000000000006 111.047 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.557 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 8.0 tttm -78.73 -60.71 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.405 0.709 . . . . 75.299999999999997 109.313 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm -60.8 -31.43 70.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 65.219999999999999 109.341 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.6 mt -72.57 -42.0 63.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 74.319999999999993 109.326 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.42 ' O ' ' N ' ' A' ' 14' ' ' CYS . 25.6 t80 -65.12 -17.74 64.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.594 1.184 . . . . 73.319999999999993 111.037 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.456 ' O ' ' CB ' ' A' ' 15' ' ' SER . 30.8 mt -85.32 -57.92 3.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.527 1.142 . . . . 74.439999999999998 109.33 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 58.4 mtp -63.63 -11.29 24.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 74.120000000000005 110.985 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.1 mttm -113.51 -36.7 4.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 74.310000000000002 109.278 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -132.23 79.17 1.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 71.230000000000004 108.261 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.3 p -117.42 145.93 43.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 63.310000000000002 110.02 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 41.78 33.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 73.530000000000001 110.292 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -133.06 -71.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 75.409999999999997 108.279 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -96.55 140.6 30.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 64.329999999999998 109.573 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.468 ' CB ' ' ND2' ' A' ' 31' ' ' ASN . 27.8 p -112.37 154.09 26.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 73.310000000000002 110.346 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.7 m -136.5 12.17 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.073 . . . . 75.129999999999995 109.304 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 24' ' ' GLY . 19.7 tt0 -99.44 120.45 39.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 64.120000000000005 110.281 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -42.2 -49.25 4.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 75.049999999999997 109.328 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.43 -25.4 63.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.454 1.096 . . . . 62.509999999999998 110.933 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 21' ' ' GLU . . . -43.46 167.58 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.011 -0.836 . . . . 42.539999999999999 111.011 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.423 ' O ' ' CG2' ' A' ' 19' ' ' THR . 0.7 OUTLIER -126.77 161.2 28.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 0.783 . . . . 71.510000000000005 109.318 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.421 ' ND1' ' HA ' ' A' ' 30' ' ' PRO . 5.3 m170 -83.34 136.19 34.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 74.519999999999996 109.587 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -122.16 -77.11 0.59 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 74.230000000000004 109.372 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.467 ' CG2' ' HAC' ' A' ' 500' ' ' HEC . 2.4 m -96.87 -35.84 10.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 72.129999999999995 110.341 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -134.18 169.87 22.81 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.15 . . . . 73.329999999999998 111.003 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.525 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.06 138.09 22.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.447 1.762 . . . . 64.109999999999999 110.956 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.468 ' ND2' ' CB ' ' A' ' 19' ' ' THR . 9.8 t-20 -54.48 121.3 8.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 72.230000000000004 109.308 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 19' ' ' THR . 94.8 mt -59.8 -16.75 30.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.478 1.111 . . . . 75.230000000000004 109.335 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -40.07 -46.22 2.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 64.430000000000007 109.621 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.435 ' O ' ' NE ' ' A' ' 38' ' ' ARG . . . -102.1 50.14 0.97 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.628 1.205 . . . . 75.209999999999994 110.991 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.5 tp -88.72 -75.62 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 0.737 . . . . 74.120000000000005 109.275 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -60.76 98.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 72.530000000000001 111.025 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.64 33.58 2.23 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 54.109999999999999 110.963 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.435 ' NE ' ' O ' ' A' ' 34' ' ' GLY . 38.3 ttm-85 -150.06 106.46 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 74.230000000000004 110.262 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -45.03 167.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 73.120000000000005 109.262 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.2 p -79.03 109.34 13.24 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 75.439999999999998 110.453 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.544 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 92.84 60.68 1.19 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.532 1.145 . . . . 62.5 110.958 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 43' ' ' ALA . 61.1 mm-40 -118.89 -38.38 3.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 74.219999999999999 110.316 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.54 99.94 0.2 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 73.209999999999994 109.315 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -75.02 -1.45 11.24 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.516 1.798 . . . . 71.209999999999994 110.989 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.2 -21.65 14.82 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.125 . . . . 63.409999999999997 111.033 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -146.78 119.28 8.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 0.76 . . . . 73.200000000000003 110.954 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.4 m -92.19 143.76 26.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 74.420000000000002 110.039 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.58 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 0.7 OUTLIER -100.91 -174.93 2.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.4 1.063 . . . . 74.5 111.035 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.3 p -57.91 175.4 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.6 1.187 . . . . 75.150000000000006 110.427 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.82 -15.92 46.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 65.450000000000003 109.303 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.73 -26.18 21.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 73.129999999999995 109.326 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -83.97 -50.78 7.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 72.120000000000005 109.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -51.83 -34.4 40.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 75.030000000000001 109.306 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -56.24 -40.6 74.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 73.209999999999994 109.281 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -52.95 137.32 32.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 71.129999999999995 109.349 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.43 76.58 0.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 74.099999999999994 111.013 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.6 pp -149.78 158.29 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 74.010000000000005 109.318 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 35.8 mm -88.91 126.14 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 74.329999999999998 109.282 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -69.96 152.5 44.38 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.971 -1.122 . . . . 75.239999999999995 107.971 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.443 ' O ' ' CD1' ' A' ' 64' ' ' LEU . . . -160.33 -155.4 7.74 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.54 1.15 . . . . 64.519999999999996 110.952 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.409 ' CG ' ' HD2' ' A' ' 99' ' ' LYS . 14.1 mt-10 -87.69 -32.95 18.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 71.140000000000001 110.264 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.446 ' CG ' ' N ' ' A' ' 63' ' ' THR . 2.4 p-10 -80.01 -49.39 11.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 64.109999999999999 109.275 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.446 ' N ' ' CG ' ' A' ' 62' ' ' ASP . 18.7 p -61.37 -18.89 60.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 73.219999999999999 110.409 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.443 ' CD1' ' O ' ' A' ' 60' ' ' GLY . 20.8 mt -90.57 -47.39 7.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 75.519999999999996 109.308 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 tpt -44.17 -38.01 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 75.319999999999993 110.955 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 69' ' ' GLU . 64.8 tt0 -79.25 -54.23 6.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 74.209999999999994 110.317 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -48.4 -30.12 4.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 73.530000000000001 110.984 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.9 mt -78.3 -32.67 49.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 71.439999999999998 109.294 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 66' ' ' GLU . 59.4 tt0 -69.93 -30.51 67.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 72.120000000000005 110.294 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -170.91 85.2 0.51 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 64.519999999999996 109.339 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -33.79 4.31 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.459 1.768 . . . . 74.420000000000002 111.059 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.456 ' CE ' HG21 ' A' ' 78' ' ' THR . 0.1 OUTLIER -58.69 -29.58 66.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 72.430000000000007 109.317 179.889 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.57 -58.68 2.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 74.439999999999998 109.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -42.4 -31.83 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 73.430000000000007 111.032 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.2 mt -142.75 90.33 7.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 74.530000000000001 109.278 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 116.62 4.64 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.575 1.829 . . . . 75.430000000000007 110.992 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.75 -8.15 31.86 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 64.010000000000005 111.013 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.495 ' OG1' ' CGD' ' A' ' 500' ' ' HEC . 2.1 t -51.45 171.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 74.510000000000005 110.392 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt -96.73 -15.79 21.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 71.340000000000003 109.324 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 38.6 mmm -44.49 99.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 75.049999999999997 110.999 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.8 mp -64.78 -19.24 25.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 73.129999999999995 109.362 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -45.69 168.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 74.409999999999997 110.967 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.6 m -117.17 -44.3 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 72.200000000000003 109.307 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.67 -179.2 17.84 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.131 . . . . 73.519999999999996 111.009 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.7 mt -132.07 148.67 32.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.557 0.798 . . . . 73.430000000000007 109.327 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -104.01 -37.42 7.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 74.439999999999998 109.296 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.82 108.11 9.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 74.420000000000002 109.287 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.57 -16.71 61.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 73.519999999999996 109.365 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -69.01 -51.9 34.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 73.439999999999998 110.263 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -58.73 -27.75 65.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 64.239999999999995 110.384 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 80.1 mtm-85 -69.86 -40.03 75.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 75.239999999999995 110.304 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 96' ' ' ALA . . . -65.63 -56.97 9.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 64.010000000000005 109.277 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -55.95 -39.69 72.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 75.329999999999998 109.328 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.9 -37.02 85.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 75.239999999999995 109.345 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 51.0 mt -83.88 -17.78 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 73.239999999999995 109.268 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 92' ' ' ALA . . . -73.84 -26.18 60.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.157 . . . . 72.299999999999997 109.307 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.557 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 5.6 t80 -97.38 -33.74 11.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 74.519999999999996 111.011 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 33.1 mt -74.48 -16.07 60.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 73.239999999999995 109.33 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.409 ' HD2' ' CG ' ' A' ' 61' ' ' GLU . 43.4 tttp -97.14 -15.78 20.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 74.099999999999994 109.309 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.9 tttp -105.89 -15.68 14.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 72.120000000000005 109.257 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -85.14 -45.71 11.79 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.528 1.142 . . . . 75.140000000000001 109.276 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.5 p -92.87 26.42 2.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.621 1.201 . . . . 73.420000000000002 110.458 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -133.58 15.67 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 74.0 109.339 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 74.299999999999997 110.319 179.928 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 500' ' ' HEC . . . . . 0.495 ' CGD' ' OG1' ' A' ' 78' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.014 -0.834 . . . . 52.2 111.014 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -61.52 127.71 32.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 63.42 109.299 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.1 m -78.14 -35.95 20.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.598 1.186 . . . . 75.34 109.327 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 7' ' ' LYS . 28.3 mt-10 -47.97 -58.63 4.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 73.12 110.27 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.791 ' O ' HD12 ' A' ' 9' ' ' ILE . 9.1 mmtm -49.13 -24.08 1.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 75.51 109.308 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.1 -24.85 15.67 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 72.04 111.004 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.556 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 0.7 OUTLIER -71.18 -61.17 1.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 74.43 109.29 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.724 ' HA ' HD12 ' A' ' 11' ' ' ILE . 29.7 mmtt -53.18 -47.48 68.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 60.43 109.318 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.791 HD12 ' O ' ' A' ' 5' ' ' LYS . 28.1 mt -60.67 -42.03 90.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 74.32 109.304 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.514 ' CD1' HD21 ' A' ' 98' ' ' LEU . 10.0 t80 -65.14 -16.94 64.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 72.24 111.013 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.724 HD12 ' HA ' ' A' ' 8' ' ' LYS . 45.3 mt -86.48 -61.16 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 74.44 109.296 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 44.2 mtt -59.06 -15.43 13.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 65.42 110.958 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.547 ' CE ' HG23 ' A' ' 9' ' ' ILE . 51.6 mttt -109.37 -42.76 4.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 64.41 109.272 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.82 77.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 32.54 108.271 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 p -109.37 131.25 55.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 63.31 110.013 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 38.92 47.22 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 65.25 110.344 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -137.79 -50.23 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 75.41 108.28 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.538 ' O ' HG23 ' A' ' 19' ' ' THR . 10.8 m-70 -103.57 -174.8 2.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 64.33 109.587 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 18' ' ' HIS . 9.4 p -156.08 155.58 32.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 63.55 110.419 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.441 HG23 ' N ' ' A' ' 21' ' ' GLU . 16.3 m -136.45 -47.66 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 62.12 109.288 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.441 ' N ' HG23 ' A' ' 20' ' ' VAL . 1.5 pt-20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 55.24 110.291 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' O ' HG21 ' A' ' 19' ' ' THR . 8.4 ptpt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.308 -0.627 . . . . 63.34 109.308 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.403 ' H ' ' CD2' ' A' ' 26' ' ' HIS . 8.6 m-70 -67.83 125.73 27.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.118 . . . . 74.52 109.624 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -123.43 -103.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 74.23 109.322 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.9 m -69.94 -39.93 75.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 61.25 110.427 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -130.81 176.01 19.15 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 73.33 110.985 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.479 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -74.98 151.02 39.11 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 64.11 111.044 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.46 ' O ' HD23 ' A' ' 32' ' ' LEU . 8.4 t-20 -75.61 158.95 31.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 54.23 109.313 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.661 ' O ' HG22 ' A' ' 102' ' ' THR . 10.3 mt -128.61 98.9 5.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 74.54 109.283 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -118.41 -50.37 2.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 64.43 109.592 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.436 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -101.43 28.05 17.76 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.506 1.129 . . . . 75.21 110.965 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.652 HD21 HD11 ' A' ' 64' ' ' LEU . 6.3 tp -41.7 -73.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 70.13 109.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.563 ' CD1' ' HG3' ' A' ' 99' ' ' LYS . 52.9 m-85 -59.8 103.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 61.41 110.974 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.17 14.96 15.27 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.116 . . . . 44.23 110.998 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.436 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 19.3 ttp180 -137.7 137.99 38.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 74.14 110.315 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -77.32 -174.1 3.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 65.41 109.257 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 57' ' ' ILE . 20.3 p -87.8 157.35 19.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 75.44 110.408 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.525 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 60.68 39.17 96.25 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.431 1.082 . . . . 62.5 111.028 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -103.52 27.55 7.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 74.22 110.289 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.464 ' CB ' ' OH ' ' A' ' 48' ' ' TYR . . . -110.44 98.88 38.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 70.23 109.304 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 0.19 9.2 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.534 1.807 . . . . 70.11 110.992 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.44 -14.33 26.02 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.098 . . . . 63.41 110.986 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.594 ' O ' ' CE1' ' A' ' 48' ' ' TYR . 15.7 t80 -152.31 102.52 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 0.752 . . . . 73.2 110.998 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.4 m -74.85 133.65 41.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 74.42 109.978 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.594 ' CE1' ' O ' ' A' ' 46' ' ' TYR . 3.1 m-30 -93.85 -168.31 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 74.5 111.019 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 p -70.82 -175.96 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 65.43 110.398 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.92 -3.35 54.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 65.45 109.319 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -95.82 -39.33 9.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 73.13 109.335 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -80.85 -41.35 23.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 72.12 109.322 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -63.74 -15.27 58.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 75.03 109.295 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.0 -8.98 26.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 64.31 109.299 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -77.05 57.23 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 71.13 109.31 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.457 ' O ' ' CG2' ' A' ' 57' ' ' ILE . . . -62.77 85.93 0.05 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 74.1 110.992 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 40' ' ' THR . 2.4 pp -154.98 146.04 13.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.776 . . . . 74.01 109.298 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.6 mm -76.86 151.24 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 71.13 109.319 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.484 ' HB3' HD11 ' A' ' 35' ' ' LEU . 19.1 m95 -97.69 87.9 4.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 75.24 108.034 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -107.34 -176.88 22.65 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 64.1 111.007 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -77.93 -13.84 59.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 0.742 . . . . 64.13 110.344 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -88.96 -30.64 18.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 64.11 109.266 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 64' ' ' LEU . 63.1 p -91.06 -54.83 3.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 73.22 110.411 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.652 HD11 HD21 ' A' ' 35' ' ' LEU . 27.8 mt -40.63 -40.89 1.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 75.52 109.303 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.499 ' CE ' ' CB ' ' A' ' 91' ' ' ARG . 2.5 tpt -53.54 -68.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 75.32 110.958 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.05 -60.94 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 74.21 110.265 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.528 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 81.4 t80 -48.21 -41.19 26.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 73.53 111.012 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.044 HD12 HD11 ' A' ' 95' ' ' ILE . 18.5 mt -63.05 -33.36 75.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 71.44 109.338 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.405 ' HB2' ' NH1' ' A' ' 91' ' ' ARG . 33.6 tt0 -71.38 -39.27 71.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 72.12 110.311 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -163.06 83.91 1.45 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 62.35 109.291 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.528 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.02 -30.73 6.82 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.801 . . . . 74.42 111.024 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -51.62 -53.47 38.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 72.43 109.311 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -38.81 83.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 55.5 109.285 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -53.13 -32.04 45.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 73.43 110.981 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.5 mt -146.84 89.9 5.59 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 71.04 109.316 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 143.84 29.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.508 1.794 . . . . 75.43 110.993 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.47 23.84 74.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.554 1.159 . . . . 61.2 111.031 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.5 t -84.6 -179.66 7.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 74.51 110.441 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.45 -28.8 12.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 61.34 109.273 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 8.0 ttt -63.3 132.85 52.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 75.05 110.997 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.8 mt -112.41 128.59 68.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 73.13 109.294 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -163.48 155.93 18.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 64.53 111.033 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.5 m -98.37 -35.44 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 72.2 109.304 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 118.12 176.9 17.05 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.439 1.087 . . . . 44.21 110.999 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 14.4 mt -127.13 142.3 43.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 73.43 109.319 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -90.88 -67.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 72.24 109.337 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -51.98 133.26 32.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 71.11 109.309 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -83.68 -23.71 31.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 73.43 109.318 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.7 mp0 -70.79 -48.09 56.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 73.44 110.333 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.78 -25.26 54.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 64.24 110.328 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.499 ' CB ' ' CE ' ' A' ' 65' ' ' MET . 48.6 mtm180 -81.41 -37.31 28.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 42.25 110.295 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 96' ' ' ALA . . . -59.96 -59.25 5.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 62.14 109.279 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.443 ' HA ' ' HB3' ' A' ' 96' ' ' ALA . 14.0 m-20 -54.19 -32.9 56.85 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 75.33 109.325 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.16 -42.83 96.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 64.13 109.333 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 1.044 HD11 HD12 ' A' ' 68' ' ' LEU . 21.5 mt -83.08 -15.77 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 73.24 109.311 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.443 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . . . -77.08 -24.61 51.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 61.14 109.287 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.556 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 3.3 t80 -96.18 -47.73 5.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 74.52 110.976 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.874 ' O ' HG23 ' A' ' 102' ' ' THR . 24.3 mt -53.07 -28.96 27.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 61.35 109.318 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.563 ' HG3' ' CD1' ' A' ' 36' ' ' PHE . 76.7 tttt -72.17 -44.39 63.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 74.1 109.326 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -78.17 -15.02 59.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 72.11 109.334 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -85.8 -38.78 17.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 75.14 109.333 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.874 HG23 ' O ' ' A' ' 98' ' ' LEU . 57.1 p -79.73 -49.58 11.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 73.13 110.424 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -47.09 -54.98 9.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 70.44 109.285 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 74.3 110.241 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.021 -0.832 . . . . 52.2 111.021 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -51.49 118.68 3.48 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.485 0.756 . . . . 63.42 109.316 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.0 OUTLIER -78.72 -39.1 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 75.34 109.283 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 7' ' ' LYS . 7.1 mm-40 -48.79 -57.11 6.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 73.12 110.317 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.814 ' O ' HD12 ' A' ' 9' ' ' ILE . 4.6 mptp? -48.46 -24.46 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 75.51 109.372 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 10' ' ' PHE . . . -96.61 -24.9 12.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 72.04 111.057 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.574 ' CD ' ' CZ ' ' A' ' 97' ' ' TYR . 12.4 tptm -63.9 -37.76 88.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 0.814 . . . . 74.43 109.324 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.542 ' CD ' ' N ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -77.77 -52.53 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 60.43 109.27 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.814 HD12 ' O ' ' A' ' 5' ' ' LYS . 42.8 mt -60.09 -25.28 32.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 74.32 109.291 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.498 ' CB ' ' O ' ' A' ' 6' ' ' GLY . 10.1 t80 -66.4 -30.79 71.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 72.24 110.982 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.6 mt -81.66 -70.56 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 74.44 109.418 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 12.4 mmt -39.38 -31.36 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 65.42 111.018 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -98.25 -38.8 9.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 64.41 109.36 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.9 OUTLIER -133.23 80.95 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 32.54 108.244 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.0 p -82.07 -86.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 63.31 110.021 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -112.9 59.21 0.65 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.596 1.185 . . . . 65.25 110.334 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.421 ' HA ' ' OG1' ' A' ' 28' ' ' THR . 1.3 m -131.93 -50.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 75.41 108.278 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -112.19 167.15 10.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 64.33 109.579 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.1 p -136.26 173.85 11.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 63.55 110.408 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.499 ' HB ' ' HB1' ' A' ' 101' ' ' ALA . 33.1 m -138.2 -51.25 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 62.12 109.276 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.479 ' N ' HG23 ' A' ' 20' ' ' VAL . 5.9 pt-20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.174 . . . . 55.24 110.356 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.294 -0.632 . . . . 63.34 109.294 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -106.1 131.02 53.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 74.52 109.582 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -117.64 -99.46 0.44 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.551 1.157 . . . . 74.23 109.303 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.421 ' OG1' ' HA ' ' A' ' 17' ' ' CYS . 16.4 p -74.39 -35.46 63.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 61.25 110.461 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.49 172.95 22.53 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.49 1.119 . . . . 73.33 111.031 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.516 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -75.0 147.61 34.13 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.403 1.739 . . . . 64.11 111.042 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' A' ' 32' ' ' LEU . 7.2 t-20 -63.64 168.41 4.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 54.23 109.299 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.646 ' HB3' HG22 ' A' ' 102' ' ' THR . 8.8 mp -117.89 86.1 2.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 74.54 109.298 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -119.44 -56.36 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 64.43 109.62 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.09 25.39 27.98 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 75.21 110.97 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.797 HD21 HD11 ' A' ' 64' ' ' LEU . 17.0 tp -40.48 -74.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 70.13 109.299 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.537 ' CE1' ' HB2' ' A' ' 99' ' ' LYS . 58.1 m-85 -63.83 95.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 61.41 110.933 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.66 31.85 2.05 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.433 1.083 . . . . 44.23 111.005 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -142.39 108.24 5.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 0.737 . . . . 74.14 110.337 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.58 177.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.595 1.184 . . . . 65.41 109.277 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.0 p -77.08 162.35 27.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 75.44 110.446 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.529 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 41.2 56.59 3.29 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.517 1.136 . . . . 62.5 111.035 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 43' ' ' ALA . 41.9 mm-40 -112.27 -29.46 7.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 0.756 . . . . 74.22 110.294 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.513 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -39.44 99.85 0.2 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 70.23 109.264 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.0 Cg_endo -75.05 61.2 5.66 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.52 1.8 . . . . 70.11 110.969 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -177.6 -47.38 0.07 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.527 1.142 . . . . 63.41 110.985 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -110.88 123.75 50.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 0.722 . . . . 73.2 110.955 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.9 p -96.22 139.87 31.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 74.42 109.923 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.529 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 1.8 m-30 -96.36 -174.09 2.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 74.5 111.02 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.5 p -69.15 168.41 14.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 65.43 110.395 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.84 -15.46 61.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 65.45 109.231 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.87 -25.82 32.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.387 1.054 . . . . 73.13 109.242 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.449 ' C ' ' N ' ' A' ' 54' ' ' ASN . 13.2 t-20 -90.58 -62.37 1.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.603 1.189 . . . . 72.12 109.361 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -40.79 -29.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 75.03 109.293 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.449 ' N ' ' C ' ' A' ' 52' ' ' ASN . 3.1 t-20 -62.5 -53.78 49.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 64.31 109.324 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' ASN . 7.1 tptt -40.52 145.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 71.13 109.339 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.29 78.87 0.27 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.463 1.102 . . . . 74.1 110.99 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.9 pp -149.88 172.52 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.742 . . . . 74.01 109.268 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.2 mm -104.58 148.43 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 71.13 109.315 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -93.14 146.82 23.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 75.24 108.021 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.723 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -165.45 -145.56 4.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.122 . . . . 64.1 111.044 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -86.98 -47.18 9.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 0.747 . . . . 64.13 110.336 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -68.46 -64.13 0.92 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 64.11 109.294 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.403 ' H ' HG23 ' A' ' 63' ' ' THR . 71.8 p -41.2 -54.22 2.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 73.22 110.419 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.797 HD11 HD21 ' A' ' 35' ' ' LEU . 69.2 mt -59.25 -60.0 4.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 75.52 109.312 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.464 ' CE ' ' HB2' ' A' ' 91' ' ' ARG . 30.0 tpp -43.13 -32.25 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 75.32 111.023 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -79.25 -39.24 33.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 74.21 110.303 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.604 ' CE1' ' CB ' ' A' ' 71' ' ' PRO . 12.2 t80 -64.79 -51.84 60.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 73.53 110.986 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.491 HD12 ' CD1' ' A' ' 85' ' ' ILE . 4.3 mm? -49.09 -44.95 42.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 71.44 109.319 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -49.12 -44.31 42.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 72.12 110.391 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -167.23 85.6 0.81 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 62.35 109.313 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.604 ' CB ' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.97 -0.67 10.23 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.423 1.749 . . . . 74.42 110.993 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -84.03 -30.18 26.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 72.43 109.273 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -84.86 -41.43 16.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 55.5 109.288 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -56.95 -37.88 72.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 73.43 111.034 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.541 ' O ' HG22 ' A' ' 78' ' ' THR . 18.7 mt -147.95 90.38 5.1 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 71.04 109.257 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 122.34 7.13 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 75.43 111.061 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.71 -12.19 35.38 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.477 1.11 . . . . 61.2 111.02 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.541 HG22 ' O ' ' A' ' 75' ' ' ILE . 2.8 t -52.3 167.48 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 0.756 . . . . 74.51 110.38 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 81' ' ' ILE . 3.1 mtmp? -88.81 -17.37 29.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 61.34 109.348 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 15.1 mmm -52.94 88.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 75.05 111.011 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.714 HG22 ' O ' ' A' ' 81' ' ' ILE . 14.1 mm -72.01 72.5 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 73.13 109.354 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -140.51 156.39 46.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.091 . . . . 64.53 110.973 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.6 m -105.95 -29.42 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 72.2 109.32 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 122.98 -178.18 16.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 44.21 111.025 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.491 ' CD1' HD12 ' A' ' 68' ' ' LEU . 20.3 mt -114.89 140.31 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.769 . . . . 73.43 109.345 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.2 mttp -79.59 -69.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 72.24 109.359 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -56.61 109.15 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 71.11 109.293 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.72 -17.71 63.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 73.43 109.303 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -82.07 -15.83 52.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 73.44 110.271 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -82.86 -13.37 56.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 64.24 110.276 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.464 ' HB2' ' CE ' ' A' ' 65' ' ' MET . 23.3 mtt180 -96.51 -30.17 13.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 42.25 110.317 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.663 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -70.85 -21.29 62.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 62.14 109.338 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -92.99 -37.81 11.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 75.33 109.421 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.35 -40.53 81.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 64.13 109.29 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 50.0 mt -78.53 -19.4 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.082 . . . . 73.24 109.266 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -74.98 -38.54 61.62 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 61.14 109.292 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.574 ' CZ ' ' CD ' ' A' ' 7' ' ' LYS . 1.6 t80 -79.81 -44.65 20.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 74.52 110.908 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.857 ' O ' HG23 ' A' ' 102' ' ' THR . 17.8 mt -48.72 -49.93 35.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 61.35 109.353 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 57.5 tttm -56.34 -43.5 79.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 74.1 109.326 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -72.89 -19.07 61.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 72.11 109.291 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.499 ' HB1' ' HB ' ' A' ' 20' ' ' VAL . . . -79.03 -38.19 37.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 75.14 109.333 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 98' ' ' LEU . 18.8 p -77.86 -45.77 23.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 73.13 110.461 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -41.04 -67.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 70.44 109.356 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 74.3 110.353 179.956 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.994 -0.842 . . . . 52.2 110.994 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -48.28 118.02 2.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 0.757 . . . . 63.42 109.279 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.0 OUTLIER -79.08 -41.36 23.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 75.34 109.327 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.9 mp0 -45.28 -52.79 9.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 73.12 110.274 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.656 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.8 mptp? -52.5 -32.44 40.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 75.51 109.322 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -88.76 -20.47 47.18 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.439 1.087 . . . . 72.04 110.97 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.572 ' O ' HD12 ' A' ' 11' ' ' ILE . 9.1 ttpp -72.65 -33.02 66.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 0.758 . . . . 74.43 109.279 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -87.36 -25.34 23.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 60.43 109.305 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 5' ' ' LYS . 72.8 mt -83.37 -30.16 8.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 74.32 109.299 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.846 ' CE1' HD21 ' A' ' 98' ' ' LEU . 37.9 t80 -77.49 -23.48 50.3 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.463 1.102 . . . . 72.24 111.033 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.572 HD12 ' O ' ' A' ' 7' ' ' LYS . 64.5 mt -86.73 -55.47 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 74.44 109.298 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 20.1 mtm -57.38 -16.36 8.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 65.42 111.02 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.579 ' HE2' HG23 ' A' ' 9' ' ' ILE . 34.1 mttm -114.33 -36.61 4.6 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.443 1.089 . . . . 64.41 109.298 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -130.11 79.78 1.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 32.54 108.302 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.552 ' HB3' HG23 ' A' ' 11' ' ' ILE . 2.4 p -120.06 141.05 50.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 63.31 110.041 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 43.32 41.41 3.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 65.25 110.289 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.15 -49.76 0.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 75.41 108.27 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.415 ' C ' HG23 ' A' ' 19' ' ' THR . 6.8 m-70 -100.77 -176.73 3.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 64.33 109.547 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.415 HG23 ' C ' ' A' ' 18' ' ' HIS . 20.2 p -153.12 138.22 17.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 63.55 110.436 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.5 m -118.98 -42.98 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.384 1.052 . . . . 62.12 109.305 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 55.24 110.375 179.941 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.293 -0.632 . . . . 63.34 109.293 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -94.91 84.12 4.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 74.52 109.597 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 29' ' ' GLY . 21.8 mmmt -53.53 -175.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 74.23 109.252 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.9 m -38.83 -31.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 61.25 110.417 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -116.09 163.09 12.41 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 73.33 111.007 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 151.48 39.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 64.11 110.971 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.627 ' C ' HD13 ' A' ' 32' ' ' LEU . 26.9 t-20 -81.07 151.86 28.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 54.23 109.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.783 ' O ' HG22 ' A' ' 102' ' ' THR . 0.2 OUTLIER -116.42 94.08 4.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 74.54 109.24 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -108.18 -53.5 2.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 64.43 109.57 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.433 ' HA3' HH21 ' A' ' 38' ' ' ARG . . . -102.15 25.14 28.82 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.108 . . . . 75.21 110.957 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.771 HD21 HD11 ' A' ' 64' ' ' LEU . 12.3 tp -40.53 -58.85 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.754 . . . . 70.13 109.279 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 99' ' ' LYS . 51.2 m-85 -79.53 81.39 5.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 61.41 111.103 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.98 -10.5 3.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.4 1.062 . . . . 44.23 111.026 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.433 HH21 ' HA3' ' A' ' 34' ' ' GLY . 36.8 ttm-85 -108.61 127.4 53.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 74.14 110.345 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.1 -171.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 65.41 109.296 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.754 HG22 ' NE1' ' A' ' 59' ' ' TRP . 2.3 p -104.51 111.4 24.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 75.44 110.332 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.45 44.84 2.45 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.528 1.143 . . . . 62.5 111.009 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.419 ' N ' ' CD ' ' A' ' 42' ' ' GLN . 3.0 mm100 -113.21 -17.56 12.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 0.78 . . . . 74.22 110.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.795 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -39.52 99.9 0.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 70.23 109.307 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.5 Cg_endo -74.94 -0.15 9.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 70.11 110.958 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.09 -14.86 15.7 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.574 1.171 . . . . 63.41 111.041 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.598 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 15.2 t80 -165.46 124.58 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 73.2 110.978 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 57.8 m -94.51 141.63 28.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 74.42 110.01 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.795 ' OH ' ' HB2' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -95.08 -174.77 3.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 74.5 110.993 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.456 HG23 ' CD ' ' A' ' 79' ' ' LYS . 2.7 p -52.86 179.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 65.43 110.449 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.59 6.13 39.56 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.433 1.083 . . . . 65.45 109.292 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.62 -49.86 4.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.395 1.059 . . . . 73.13 109.31 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -69.71 -47.94 61.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 72.12 109.311 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -51.9 -30.92 26.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 75.03 109.296 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -71.43 -31.76 67.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 64.31 109.243 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.3 tptp -55.82 138.82 47.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 71.13 109.263 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.407 ' C ' HG23 ' A' ' 57' ' ' ILE . . . -135.1 72.13 0.47 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 74.1 110.976 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.407 HG23 ' C ' ' A' ' 56' ' ' GLY . 2.4 pp -151.29 142.72 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.78 . . . . 74.01 109.311 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.0 mm -79.26 126.47 39.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 71.13 109.239 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.754 ' NE1' HG22 ' A' ' 40' ' ' THR . 21.2 m95 -61.68 148.21 43.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 75.24 107.96 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -157.18 -156.47 7.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 64.1 111.007 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.6 mp0 -83.78 -47.89 10.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 0.795 . . . . 64.13 110.315 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -65.11 -58.76 5.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 64.11 109.249 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.8 p -47.94 -38.8 17.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 73.22 110.364 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.771 HD11 HD21 ' A' ' 35' ' ' LEU . 29.4 mt -75.99 -32.54 59.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 75.52 109.311 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.9 tpt -53.66 -58.23 7.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 75.32 110.963 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -67.16 -51.07 58.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 74.21 110.304 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.517 ' HB2' ' CD2' ' A' ' 74' ' ' TYR . 56.3 t80 -49.9 -69.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 73.53 111.006 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -42.26 -51.23 4.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 71.44 109.279 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -47.81 -44.85 29.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 72.12 110.32 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -165.71 87.3 0.95 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 62.35 109.309 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.443 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.6 Cg_endo -74.93 -13.48 21.56 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.531 1.806 . . . . 74.42 110.993 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -64.51 -15.98 61.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 72.43 109.326 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.28 -33.68 7.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 55.5 109.262 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.517 ' CD2' ' HB2' ' A' ' 67' ' ' TYR . 2.1 t80 -66.65 -41.46 88.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 73.43 111.022 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.0 mt -134.92 86.19 33.17 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 71.04 109.342 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 109.03 2.85 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.559 1.821 . . . . 75.43 111.019 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 127.3 -17.14 6.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.486 1.116 . . . . 61.2 110.972 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.0 t -47.04 168.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 0.736 . . . . 74.51 110.386 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.456 ' CD ' HG23 ' A' ' 49' ' ' THR . 7.9 pttt -120.93 38.94 3.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 61.34 109.354 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.8 ttt -103.33 119.26 38.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 75.05 110.979 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.2 mm -81.17 113.47 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 73.13 109.235 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.467 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 7.3 t80 -170.16 165.5 9.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 64.53 111.002 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 32.8 m -110.4 -44.21 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 72.2 109.311 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.467 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 118.1 161.09 11.81 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.46 1.1 . . . . 44.21 110.955 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.451 HG22 ' N ' ' A' ' 86' ' ' LYS . 18.5 mt -102.61 163.79 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 73.43 109.326 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.451 ' N ' HG22 ' A' ' 85' ' ' ILE . 1.2 ttmp? -110.28 -73.81 0.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 72.24 109.331 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -46.9 116.01 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 71.11 109.319 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? -60.91 -50.0 75.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 73.43 109.336 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.454 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 24.5 mt-10 -49.05 -41.75 36.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 73.44 110.319 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.5 ' HG2' HD13 ' A' ' 9' ' ' ILE . 11.0 tt0 -56.1 -39.94 72.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 64.24 110.288 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 84.6 mtm-85 -66.59 -23.08 66.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 42.25 110.375 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 89' ' ' GLU . . . -74.01 -51.25 16.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 62.14 109.37 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 94' ' ' LEU . 1.3 p30 -57.85 -29.76 65.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 75.33 109.294 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.477 HD12 HG22 ' A' ' 9' ' ' ILE . 1.7 tt -80.8 -41.1 23.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.587 1.18 . . . . 64.13 109.377 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 61.1 mt -74.22 -16.42 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 73.24 109.329 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 92' ' ' ALA . . . -79.67 -30.57 41.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 61.14 109.285 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.568 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 3.2 t80 -88.59 -54.01 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 74.52 110.983 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.951 ' O ' HG23 ' A' ' 102' ' ' THR . 14.1 mt -48.78 -36.02 15.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 61.35 109.338 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 56.3 tttp -69.98 -40.61 75.26 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.43 1.081 . . . . 74.1 109.302 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -77.19 -15.03 59.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 72.11 109.32 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -84.56 -39.94 18.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 75.14 109.293 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.951 HG23 ' O ' ' A' ' 98' ' ' LEU . 51.9 p -79.29 -35.47 41.23 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 73.13 110.424 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -69.58 -60.84 2.06 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.089 . . . . 70.44 109.351 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 74.3 110.316 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.974 -0.85 . . . . 52.2 110.974 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -75.81 142.62 42.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 0.807 . . . . 63.42 109.347 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.697 HG11 ' CE ' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -79.07 -36.97 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 75.34 109.288 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 7' ' ' LYS . 36.2 mt-10 -47.57 -58.1 4.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 73.12 110.313 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.847 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.4 mptm? -49.11 -25.27 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 75.51 109.299 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 10' ' ' PHE . . . -94.33 -24.6 18.51 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.12 . . . . 72.04 110.973 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.561 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 25.5 tttt -74.97 -30.79 61.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 0.743 . . . . 74.43 109.345 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -83.96 -30.67 26.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 60.43 109.354 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.847 HD12 ' O ' ' A' ' 5' ' ' LYS . 60.4 mt -84.76 -23.24 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 74.32 109.307 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.49 ' CB ' ' O ' ' A' ' 6' ' ' GLY . 21.1 t80 -75.92 -20.6 57.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 72.24 111.013 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.483 HG23 ' HB2' ' A' ' 15' ' ' SER . 63.0 mt -82.97 -62.89 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 74.44 109.266 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -20.25 13.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.152 . . . . 65.42 111.032 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 9' ' ' ILE . 5.3 mmpt? -103.95 -35.07 8.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 64.41 109.286 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -137.12 81.05 1.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 32.54 108.329 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.483 ' HB2' HG23 ' A' ' 11' ' ' ILE . 2.4 t -119.92 140.56 50.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 63.31 109.981 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 54.76 29.3 11.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 65.25 110.312 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.0 m -133.18 -57.73 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 75.41 108.329 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.495 ' HD1' HD21 ' A' ' 32' ' ' LEU . 74.0 m-70 -103.11 161.37 13.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 64.33 109.616 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.701 ' O ' HG22 ' A' ' 20' ' ' VAL . 72.7 p -119.35 -39.59 2.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 63.55 110.343 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.989 HG12 HD23 ' A' ' 32' ' ' LEU . 9.3 m 49.26 27.33 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.075 . . . . 62.12 109.26 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.422 ' CG ' ' HB ' ' A' ' 19' ' ' THR . 2.8 pt-20 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 55.24 110.272 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.313 -0.625 . . . . 63.34 109.313 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -89.86 75.6 7.25 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.559 1.162 . . . . 74.52 109.564 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.434 ' C ' ' N ' ' A' ' 29' ' ' GLY . 12.5 mtmt -53.27 -175.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.599 1.187 . . . . 74.23 109.231 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 m -38.79 -29.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 61.25 110.434 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.434 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . -115.53 159.42 13.81 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 73.33 110.985 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 149.47 36.99 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.525 1.803 . . . . 64.11 111.054 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.766 ' O ' HD13 ' A' ' 32' ' ' LEU . 3.7 t-20 -76.13 164.18 26.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 54.23 109.261 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.989 HD23 HG12 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -128.93 100.62 5.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 74.54 109.302 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.494 ' O ' ' CA ' ' A' ' 102' ' ' THR . 0.4 OUTLIER -111.55 -71.46 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 64.43 109.615 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.445 ' H ' HH21 ' A' ' 38' ' ' ARG . . . -102.09 28.06 17.6 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.499 1.125 . . . . 75.21 110.964 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 34' ' ' GLY . 3.9 tp -40.51 -46.89 2.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 70.13 109.333 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 99' ' ' LYS . 9.4 m-85 -78.03 82.35 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 61.41 111.009 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.18 -12.62 3.05 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.484 1.115 . . . . 44.23 111.001 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.445 HH21 ' H ' ' A' ' 34' ' ' GLY . 8.6 ptp180 -97.11 152.16 19.06 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.516 0.774 . . . . 74.14 110.279 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -80.99 170.19 16.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 65.41 109.34 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.2 p -76.18 109.76 10.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 75.44 110.418 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.444 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 88.64 50.17 3.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 62.5 110.998 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 43' ' ' ALA . 46.6 mm-40 -114.15 -14.56 12.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 0.742 . . . . 74.22 110.319 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.69 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -39.59 99.97 0.21 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 70.23 109.265 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.4 Cg_endo -75.0 73.24 4.39 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 70.11 111.015 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.48 -49.74 0.2 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.532 1.145 . . . . 63.41 110.935 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -121.94 81.97 1.89 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.476 0.75 . . . . 73.2 111.058 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.4 p -55.85 130.17 42.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 74.42 110.042 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.69 ' OH ' ' HB2' ' A' ' 43' ' ' ALA . 6.3 m-30 -80.32 -175.02 4.89 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.481 1.113 . . . . 74.5 110.955 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 36.7 p -72.38 -179.46 2.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 65.43 110.367 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.19 12.58 13.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 65.45 109.326 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.534 ' HB1' HG22 ' A' ' 75' ' ' ILE . . . -96.61 -38.9 9.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 73.13 109.324 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.499 ' OD1' ' CD1' ' A' ' 75' ' ' ILE . 2.2 t30 -100.75 -19.53 15.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 72.12 109.332 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.0 tttp -76.41 -29.26 57.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 75.03 109.273 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 14.3 p30 -71.98 -27.01 62.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 64.31 109.344 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.464 ' HE3' ' CE1' ' A' ' 74' ' ' TYR . 13.1 mmtt -55.56 156.68 4.49 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 71.13 109.32 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -138.19 16.75 3.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 74.1 110.941 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.516 HD12 ' N ' ' A' ' 58' ' ' ILE . 2.2 pp -90.55 178.98 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.433 0.725 . . . . 74.01 109.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.516 ' N ' HD12 ' A' ' 57' ' ' ILE . 30.7 mm -116.12 134.26 60.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 71.13 109.357 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 28.4 m95 -72.75 89.89 1.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 75.24 107.981 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.488 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -116.37 -147.88 8.92 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 64.1 111.075 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -89.56 -59.68 2.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 64.13 110.288 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -50.57 -44.23 56.64 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.525 1.14 . . . . 64.11 109.269 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.464 HG21 ' O ' ' A' ' 58' ' ' ILE . 27.7 p -65.0 -58.46 6.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 73.22 110.358 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.488 HD12 ' O ' ' A' ' 60' ' ' GLY . 17.7 mt -42.87 -47.86 5.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 75.52 109.32 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.424 ' CE ' ' HB3' ' A' ' 91' ' ' ARG . 2.6 tpt -46.36 -68.27 0.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 75.32 110.973 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 69' ' ' GLU . 2.0 tp10 -43.42 -57.85 2.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.085 . . . . 74.21 110.27 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.589 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 2.5 t80 -48.39 -42.84 33.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 73.53 111.025 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.708 HD12 HD11 ' A' ' 95' ' ' ILE . 64.3 mt -65.32 -28.21 69.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 71.44 109.31 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 66' ' ' GLU . 23.8 tt0 -78.52 -35.93 45.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 72.12 110.248 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -164.52 82.5 1.27 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 62.35 109.333 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.589 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.1 Cg_endo -74.97 -10.64 21.35 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.456 1.766 . . . . 74.42 110.981 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.423 ' HZ3' ' HB3' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -77.08 -47.69 19.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 72.43 109.299 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.4 ttmt -65.63 -44.46 86.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 55.5 109.25 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.486 ' OH ' ' CD1' ' A' ' 57' ' ' ILE . 1.6 t80 -48.17 -51.37 25.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 73.43 110.947 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.534 HG22 ' HB1' ' A' ' 51' ' ' ALA . 5.8 mt -135.65 90.33 20.01 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.451 1.094 . . . . 71.04 109.369 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 98.69 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.518 1.799 . . . . 75.43 111.036 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 133.82 -16.54 4.49 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.543 1.152 . . . . 61.2 110.945 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 75' ' ' ILE . 3.2 t -44.08 164.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 0.802 . . . . 74.51 110.445 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? -93.99 17.26 12.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 61.34 109.255 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.436 ' CE ' ' OH ' ' A' ' 67' ' ' TYR . 11.2 tpp -76.06 144.81 40.55 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.585 1.178 . . . . 75.05 110.91 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.434 HG22 ' O ' ' A' ' 81' ' ' ILE . 29.3 mt -118.33 74.5 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 73.13 109.317 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -155.35 173.95 15.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 64.53 110.971 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.2 m -118.64 -45.72 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 72.2 109.231 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 138.67 162.65 9.25 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 44.21 111.002 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.8 mt -103.81 152.11 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.411 0.712 . . . . 73.43 109.284 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.6 tptp -95.07 -75.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 72.24 109.316 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -40.56 141.55 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 71.11 109.352 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -78.04 -42.64 31.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 73.43 109.338 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -55.95 -60.79 2.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 73.44 110.308 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.604 ' HG3' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -38.65 -38.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 64.24 110.25 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.424 ' HB3' ' CE ' ' A' ' 65' ' ' MET . 52.6 mtm180 -74.05 -54.9 6.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 42.25 110.312 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -48.8 -58.76 4.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 62.14 109.276 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 96' ' ' ALA . 71.9 m-20 -50.59 -56.77 10.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 75.33 109.293 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.4 tp -48.85 -34.79 13.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 64.13 109.284 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.708 HD11 HD12 ' A' ' 68' ' ' LEU . 43.2 mt -75.67 -34.88 29.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 73.24 109.314 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -57.34 -24.6 56.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 61.14 109.395 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.561 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 1.2 t80 -97.96 -37.97 9.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 74.52 111.028 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.413 HD21 ' CD1' ' A' ' 10' ' ' PHE . 15.3 mt -72.22 -15.23 61.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 61.35 109.352 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.532 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 66.2 tttt -96.04 -22.32 17.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.593 1.183 . . . . 74.1 109.222 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.697 ' CE ' HG11 ' A' ' 3' ' ' VAL . 18.5 ttpp -98.02 -18.81 18.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 72.11 109.268 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.457 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -79.71 -29.14 40.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 75.14 109.315 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.494 ' CA ' ' O ' ' A' ' 33' ' ' HIS . 46.2 p -104.04 33.1 3.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.404 1.065 . . . . 73.13 110.45 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -124.07 -50.67 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 70.44 109.319 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 74.3 110.342 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.012 -0.835 . . . . 52.2 111.012 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -50.76 169.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 63.42 109.326 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.86 HG12 ' HA ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -117.28 -52.12 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 75.34 109.262 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -40.56 -44.97 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 73.12 110.289 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.675 ' O ' HD12 ' A' ' 9' ' ' ILE . 2.7 mmmp? -55.77 -47.05 77.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 75.51 109.297 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.479 ' O ' ' CB ' ' A' ' 10' ' ' PHE . . . -79.02 -12.65 83.88 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.524 1.14 . . . . 72.04 111.001 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.574 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 16.5 tptm -72.91 -72.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 74.43 109.284 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -52.36 -36.05 52.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 60.43 109.304 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.675 HD12 ' O ' ' A' ' 5' ' ' LYS . 96.7 mt -66.91 -43.61 89.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 74.32 109.312 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 1.157 ' CE1' HD21 ' A' ' 98' ' ' LEU . 29.9 t80 -66.95 -27.51 67.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 72.24 110.997 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.536 HG23 ' HB2' ' A' ' 15' ' ' SER . 48.2 mt -82.83 -70.24 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 74.44 109.328 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.4 mmt -42.19 -27.08 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 65.42 110.994 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -101.69 -37.38 8.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 64.41 109.294 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -133.03 82.95 2.02 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.156 . . . . 32.54 108.284 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.536 ' HB2' HG23 ' A' ' 11' ' ' ILE . 42.8 t -123.32 150.26 43.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 63.31 110.035 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 41.47 36.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 65.25 110.325 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.87 -61.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 75.41 108.3 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -88.21 -178.34 5.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 64.33 109.618 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 31' ' ' ASN . 3.0 p -146.53 143.39 28.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.153 . . . . 63.55 110.331 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.0 m -124.61 -44.48 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 62.12 109.373 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 55.24 110.29 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.1 pttm . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.276 -0.638 . . . . 63.34 109.276 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -94.11 79.22 4.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 74.52 109.55 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.41 ' C ' ' N ' ' A' ' 29' ' ' GLY . 16.5 mtpt -53.93 -174.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 74.23 109.285 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.7 m -39.33 -30.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 61.25 110.427 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.41 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . -120.28 157.35 15.74 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.517 1.135 . . . . 73.33 110.965 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 151.78 39.86 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.497 1.788 . . . . 64.11 111.002 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' A' ' 19' ' ' THR . 6.2 t-20 -71.83 136.64 47.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 54.23 109.281 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.468 ' CB ' HG21 ' A' ' 102' ' ' THR . 1.0 OUTLIER -77.7 -13.64 59.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 74.54 109.301 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 32' ' ' LEU . 6.8 t-80 -39.98 -37.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 64.43 109.649 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -100.83 47.92 1.19 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 75.21 110.997 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.683 HD21 HD11 ' A' ' 64' ' ' LEU . 14.2 tp -95.33 -75.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 0.736 . . . . 70.13 109.295 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.596 ' CE1' HD23 ' A' ' 35' ' ' LEU . 68.8 m-85 -68.38 118.96 12.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 61.41 111.008 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.13 16.8 36.79 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.482 1.113 . . . . 44.23 111.051 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.1 ttm-85 -139.54 159.0 43.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 0.749 . . . . 74.14 110.299 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -96.73 -174.23 2.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 65.41 109.26 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.0 p -88.29 132.32 34.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 75.44 110.345 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.95 48.26 12.01 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.388 1.055 . . . . 62.5 111.014 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 43' ' ' ALA . 79.6 mm-40 -110.34 -35.61 6.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 0.756 . . . . 74.22 110.304 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.545 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -39.57 99.9 0.2 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 70.23 109.203 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.4 Cg_endo -74.98 -7.0 18.78 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.495 1.787 . . . . 70.11 111.011 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -94.65 -4.97 61.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 63.41 110.947 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -168.24 111.34 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 73.2 110.987 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.8 p -79.63 121.52 25.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 74.42 109.986 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.545 ' OH ' ' HB2' ' A' ' 43' ' ' ALA . 5.5 m-30 -74.18 -175.02 2.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 74.5 110.976 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.641 HG23 ' HE2' ' A' ' 79' ' ' LYS . 7.0 p -70.56 175.57 4.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 65.43 110.383 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.16 -16.09 57.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 65.45 109.365 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.542 ' HB1' ' O ' ' A' ' 76' ' ' PRO . . . -76.03 -27.74 57.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 73.13 109.315 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 55' ' ' LYS . 2.1 t30 -98.22 -47.73 5.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 72.12 109.322 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -44.1 -30.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 75.03 109.341 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -71.39 -49.87 37.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 64.31 109.316 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.3 OUTLIER -47.56 138.54 7.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.401 1.063 . . . . 71.13 109.267 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -141.5 73.68 0.37 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.53 1.144 . . . . 74.1 111.022 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.403 HD12 ' O ' ' A' ' 58' ' ' ILE . 2.3 pp -142.02 159.77 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.753 . . . . 74.01 109.248 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.403 ' O ' HD12 ' A' ' 57' ' ' ILE . 3.6 mm -85.79 152.96 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 71.13 109.28 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.527 ' CD1' HD12 ' A' ' 35' ' ' LEU . 38.6 m95 -96.67 96.68 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.972 -1.121 . . . . 75.24 107.972 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.557 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -108.35 -172.34 21.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 64.1 111.044 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.486 ' O ' ' CG ' ' A' ' 65' ' ' MET . 29.7 mt-10 -82.42 -15.3 53.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.777 . . . . 64.13 110.336 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -89.39 -42.52 11.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 64.11 109.35 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.0 p -73.76 -30.29 62.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 73.22 110.402 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.683 HD11 HD21 ' A' ' 35' ' ' LEU . 37.8 mt -79.83 -17.97 51.97 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.587 1.179 . . . . 75.52 109.303 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.486 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 2.9 mmt -77.11 -27.43 54.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 75.32 111.029 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -96.15 -34.71 11.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 74.21 110.293 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 4.0 t80 -66.14 -35.51 80.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 73.53 111.036 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.049 HD12 HD11 ' A' ' 95' ' ' ILE . 7.8 mt -67.5 -29.89 69.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 71.44 109.221 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -66.69 -40.44 88.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 72.12 110.318 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -163.95 79.62 1.5 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 62.35 109.348 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.01 -11.04 21.45 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.502 1.791 . . . . 74.42 110.997 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.463 ' HA ' ' CE ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER -67.89 -15.87 63.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 72.43 109.341 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.95 -53.67 2.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 55.5 109.29 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.409 ' CD2' ' HB2' ' A' ' 67' ' ' TYR . 1.8 t80 -42.08 -32.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 73.43 111.035 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.421 HG22 ' HB ' ' A' ' 78' ' ' THR . 5.3 mm -134.98 89.93 23.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 71.04 109.284 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.542 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 18.2 Cg_endo -75.01 104.55 1.92 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.443 1.76 . . . . 75.43 110.957 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.02 43.46 1.64 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.551 1.157 . . . . 61.2 111.023 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.502 HG23 ' HB2' ' A' ' 80' ' ' MET . 6.3 t -102.67 157.25 17.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 74.51 110.388 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.641 ' HE2' HG23 ' A' ' 49' ' ' THR . 27.8 mttm -77.67 -16.5 58.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.417 1.073 . . . . 61.34 109.312 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.502 ' HB2' HG23 ' A' ' 78' ' ' THR . 45.0 mmm -42.87 148.33 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 75.05 111.049 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.417 HD13 ' O ' ' A' ' 80' ' ' MET . 5.6 mm -132.59 52.89 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 73.13 109.325 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -109.99 177.84 4.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.12 . . . . 64.53 110.985 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.2 m -123.43 -45.17 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 72.2 109.259 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 131.57 162.69 10.6 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.498 1.124 . . . . 44.21 110.994 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 82.4 mt -116.31 144.07 24.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.554 0.796 . . . . 73.43 109.316 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -92.79 -38.56 11.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 72.24 109.358 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -73.75 126.64 30.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 71.11 109.338 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -75.54 -37.26 60.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 73.43 109.238 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -60.06 -52.66 64.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 73.44 110.319 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -48.78 -37.37 18.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 64.24 110.293 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.462 ' HB3' ' CE ' ' A' ' 65' ' ' MET . 58.3 mtm180 -71.53 -39.58 70.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 42.25 110.328 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.14 -63.23 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.577 1.173 . . . . 62.14 109.345 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.545 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 0.4 OUTLIER -51.68 -40.27 59.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 75.33 109.334 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.646 ' CD1' HD12 ' A' ' 98' ' ' LEU . 2.2 tm? -55.24 -59.64 4.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 64.13 109.321 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 1.049 HD11 HD12 ' A' ' 68' ' ' LEU . 16.6 mt -67.33 -15.84 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 73.24 109.302 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -72.42 -36.98 68.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 61.14 109.278 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.86 ' HA ' HG12 ' A' ' 3' ' ' VAL . 2.1 t80 -89.13 -48.13 7.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 74.52 111.006 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.157 HD21 ' CE1' ' A' ' 10' ' ' PHE . 15.1 mt -54.0 -23.75 14.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 61.35 109.281 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.545 ' HG3' ' CE1' ' A' ' 36' ' ' PHE . 56.2 tttm -82.23 -52.55 6.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 74.1 109.297 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -63.44 -18.23 63.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.425 1.078 . . . . 72.11 109.255 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -85.94 -29.59 23.46 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.537 1.148 . . . . 75.14 109.234 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 98' ' ' LEU . 70.5 p -109.88 19.51 19.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 73.13 110.354 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -108.69 -31.72 7.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 70.44 109.353 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 74.3 110.242 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.418 ' O ' ' HB1' ' A' ' 96' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.028 -0.829 . . . . 52.2 111.028 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.62 162.96 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 0.749 . . . . 63.42 109.27 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.792 HG23 ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -111.28 -41.42 4.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 75.34 109.309 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -49.87 -52.98 28.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 73.12 110.319 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.458 ' O ' HD12 ' A' ' 9' ' ' ILE . 7.1 mmmm -53.62 -23.65 11.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 75.51 109.318 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.17 -21.71 19.48 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.475 1.109 . . . . 72.04 110.917 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.559 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 18.1 ttpp -74.68 -22.1 59.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 74.43 109.322 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.531 ' HZ2' ' HB3' ' A' ' 8' ' ' LYS . 1.3 mmmp? -86.98 -43.59 12.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 60.43 109.391 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.568 HG23 ' NZ ' ' A' ' 13' ' ' LYS . 46.3 mt -73.49 -10.32 13.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 74.32 109.342 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.429 ' O ' ' CA ' ' A' ' 14' ' ' CYS . 11.5 t80 -87.49 -26.46 23.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 72.24 111.07 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.499 ' O ' ' CB ' ' A' ' 15' ' ' SER . 82.1 mt -84.05 -70.14 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 74.44 109.333 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.5 mtp -37.94 -30.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 65.42 110.989 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.568 ' NZ ' HG23 ' A' ' 9' ' ' ILE . 2.6 mttp -102.64 -62.22 1.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 64.41 109.271 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.429 ' CA ' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -98.22 65.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.589 1.181 . . . . 32.54 108.32 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.4 p -102.69 132.77 48.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 63.31 110.063 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 39.95 36.42 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 65.25 110.201 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.82 -47.03 1.39 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 75.41 108.292 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.584 ' ND1' HD11 ' A' ' 32' ' ' LEU . 6.6 m-70 -106.79 175.12 5.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 64.33 109.571 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.605 HG21 ' O ' ' A' ' 25' ' ' LYS . 9.6 p -146.98 144.57 29.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 63.55 110.417 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.8 m -126.37 -44.93 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 62.12 109.3 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 55.24 110.309 179.954 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.605 ' O ' HG21 ' A' ' 19' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.291 -0.633 . . . . 63.34 109.291 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -81.67 133.8 35.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 74.52 109.625 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 mtmm -131.55 -103.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 74.23 109.284 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.7 m -72.3 -40.63 67.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.565 1.166 . . . . 61.25 110.449 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -127.83 165.07 21.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.587 1.179 . . . . 73.33 110.997 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.401 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 18.1 Cg_endo -74.96 149.67 37.23 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.504 1.791 . . . . 64.11 111.017 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -72.49 147.45 46.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 54.23 109.278 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.777 HD23 HD13 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -116.29 93.88 4.41 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.556 1.16 . . . . 74.54 109.354 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -106.98 -46.11 4.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 64.43 109.573 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -102.06 25.57 27.35 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.41 1.069 . . . . 75.21 111.054 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.777 HD13 HD23 ' A' ' 32' ' ' LEU . 19.5 tp -40.45 -62.28 0.79 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.473 0.749 . . . . 70.13 109.345 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.649 ' CZ ' ' CB ' ' A' ' 99' ' ' LYS . 13.2 m-85 -79.5 94.38 5.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.069 . . . . 61.41 110.946 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.17 30.99 2.14 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.458 1.099 . . . . 44.23 110.969 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.445 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 33.9 ttp180 -144.67 162.65 36.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 0.791 . . . . 74.14 110.292 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.455 ' HD3' ' CD1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -94.83 -178.28 4.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 65.41 109.263 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.697 HG22 ' NE1' ' A' ' 59' ' ' TRP . 2.4 p -90.34 141.68 28.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 75.44 110.388 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.557 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 64.4 66.71 2.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.485 1.116 . . . . 62.5 110.952 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 43' ' ' ALA . 84.6 mm-40 -115.95 -36.12 4.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 74.22 110.294 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.453 ' CB ' ' OH ' ' A' ' 48' ' ' TYR . . . -39.51 99.91 0.2 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 70.23 109.307 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.6 Cg_endo -74.96 -0.41 9.92 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.463 1.77 . . . . 70.11 111.029 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.68 -6.11 35.57 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 63.41 110.992 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.494 ' O ' ' CE1' ' A' ' 48' ' ' TYR . 18.8 t80 -159.35 112.81 2.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 0.798 . . . . 73.2 110.987 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.8 p -90.28 139.69 30.41 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.466 1.104 . . . . 74.42 109.99 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.62 ' CD1' ' N ' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -99.71 -175.14 2.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 74.5 111.038 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.7 p -55.3 176.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 65.43 110.394 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.68 12.58 14.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 65.45 109.336 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.67 -45.35 6.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 73.13 109.287 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.41 ' O ' ' N ' ' A' ' 55' ' ' LYS . 7.4 t30 -83.79 -47.19 11.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 72.12 109.288 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -46.44 -35.54 5.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 75.03 109.296 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -75.62 -39.55 57.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 64.31 109.331 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 52' ' ' ASN . 9.9 tptt -45.88 140.22 3.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 71.13 109.303 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.38 77.01 0.33 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.574 1.171 . . . . 74.1 111.016 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.594 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.4 pp -143.32 151.0 17.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 0.76 . . . . 74.01 109.321 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.455 ' CD1' ' HD3' ' A' ' 39' ' ' LYS . 2.3 mm -84.82 131.66 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.152 . . . . 71.13 109.224 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.697 ' NE1' HG22 ' A' ' 40' ' ' THR . 18.9 m95 -77.08 153.9 33.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.546 1.154 . . . . 75.24 108.018 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.621 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -173.67 -148.75 6.58 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.44 1.088 . . . . 64.1 111.017 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 65' ' ' MET . 30.0 mt-10 -87.51 -58.18 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 0.783 . . . . 64.13 110.323 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -58.88 -45.4 90.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 64.11 109.275 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.408 ' OG1' ' N ' ' A' ' 60' ' ' GLY . 13.7 p -60.51 -27.87 67.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 73.22 110.419 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.621 HD12 ' O ' ' A' ' 60' ' ' GLY . 77.6 mt -92.85 -19.23 21.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 75.52 109.325 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.676 ' HE3' HD12 ' A' ' 95' ' ' ILE . 2.4 tpt -68.43 -37.89 80.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 75.32 110.968 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -84.49 -38.54 19.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 74.21 110.273 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.609 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 8.0 t80 -60.06 -47.08 87.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 73.53 110.995 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.418 HD12 HD11 ' A' ' 95' ' ' ILE . 13.0 mt -56.52 -41.52 76.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 71.44 109.294 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -59.16 -43.1 92.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 72.12 110.315 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -163.63 88.64 1.2 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 62.35 109.305 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.609 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.7 Cg_endo -75.01 -7.25 18.98 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.506 1.793 . . . . 74.42 111.033 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -74.68 -47.85 29.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.086 . . . . 72.43 109.339 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -43.16 98.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 55.5 109.302 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -56.67 -52.29 65.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 73.43 111.056 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.432 ' O ' HG22 ' A' ' 78' ' ' THR . 5.7 mt -133.6 88.7 33.15 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 71.04 109.306 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 110.33 3.1 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.5 1.79 . . . . 75.43 111.004 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.55 -0.22 13.96 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.501 1.125 . . . . 61.2 111.025 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 75' ' ' ILE . 1.7 t -61.08 166.41 3.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.788 . . . . 74.51 110.474 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.7 mtmm -95.69 15.75 19.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 61.34 109.282 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.5 tpp -76.53 94.68 3.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 75.05 111.051 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.482 HD12 ' N ' ' A' ' 81' ' ' ILE . 1.6 mp -58.8 -17.71 11.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 73.13 109.314 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -53.54 169.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 64.53 110.971 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 84' ' ' GLY . 35.6 m -120.18 -48.5 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 72.2 109.345 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.436 ' N ' HG23 ' A' ' 83' ' ' VAL . . . 141.29 -179.07 19.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.527 1.142 . . . . 44.21 110.994 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 8.0 mt -119.68 157.8 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 73.43 109.328 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.93 -34.64 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 72.24 109.27 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.418 ' CB ' ' OE1' ' A' ' 90' ' ' GLU . 15.4 mmmt -84.12 111.44 19.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 71.11 109.319 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -17.24 64.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 73.43 109.297 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -79.52 -13.57 59.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 73.44 110.278 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.418 ' OE1' ' CB ' ' A' ' 87' ' ' LYS . 0.6 OUTLIER -99.95 -11.29 20.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 64.24 110.264 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.8 mtm-85 -90.66 -32.48 16.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 42.25 110.29 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.64 -16.74 59.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 62.14 109.283 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -93.54 -48.16 6.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 75.33 109.292 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 48.7 tp -55.78 -34.12 64.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 64.13 109.292 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.676 HD12 ' HE3' ' A' ' 65' ' ' MET . 80.7 mt -79.93 -40.13 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 73.24 109.281 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 1' ' ' GLY . . . -55.57 -20.65 14.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 61.14 109.289 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.792 ' CD1' HG23 ' A' ' 3' ' ' VAL . 0.6 OUTLIER -92.87 -58.46 2.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 74.52 111.013 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.836 ' O ' HG23 ' A' ' 102' ' ' THR . 11.5 mt -51.09 -30.74 16.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 61.35 109.289 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.649 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 11.9 pttp -69.13 -34.21 74.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.593 1.183 . . . . 74.1 109.368 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -89.08 -16.47 31.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 72.11 109.355 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.513 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -81.39 -40.12 23.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 75.14 109.347 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.836 HG23 ' O ' ' A' ' 98' ' ' LEU . 68.2 p -81.63 -29.92 33.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 73.13 110.374 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -53.22 -55.33 25.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 70.44 109.273 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 74.3 110.333 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.021 -0.832 . . . . 52.2 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -64.03 167.77 6.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 63.42 109.29 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.822 HG12 ' HA ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -113.08 -51.34 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 75.34 109.312 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -41.42 -48.27 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 73.12 110.283 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.578 ' O ' HD12 ' A' ' 9' ' ' ILE . 6.8 mmtm -52.5 -43.72 65.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 75.51 109.331 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -81.77 -17.15 71.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.541 1.151 . . . . 72.04 110.959 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.562 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -80.9 -27.2 36.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 0.753 . . . . 74.43 109.266 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -85.76 -19.76 30.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 60.43 109.285 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.578 HD12 ' O ' ' A' ' 5' ' ' LYS . 21.8 mt -95.34 -16.25 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 74.32 109.318 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.638 ' CE1' HG13 ' A' ' 20' ' ' VAL . 12.5 t80 -81.75 -28.2 33.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 72.24 111.013 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.497 ' O ' ' CB ' ' A' ' 15' ' ' SER . 74.6 mt -82.13 -75.07 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 74.44 109.289 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.94 -30.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 65.42 110.974 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.458 ' HD2' HG23 ' A' ' 9' ' ' ILE . 9.4 mtpt -99.34 -66.96 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 64.41 109.282 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' CA ' ' O ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -92.18 62.28 4.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 32.54 108.213 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 0.5 OUTLIER -98.32 149.08 23.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.113 . . . . 63.31 110.029 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 38.99 34.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 65.25 110.332 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.47 ' SG ' HG21 ' A' ' 28' ' ' THR . 2.4 m -137.84 -51.84 0.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 75.41 108.252 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -116.24 147.46 41.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.412 1.07 . . . . 64.33 109.544 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.698 ' O ' HG22 ' A' ' 20' ' ' VAL . 4.5 p -112.26 -29.66 7.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 63.55 110.418 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.698 HG22 ' O ' ' A' ' 19' ' ' THR . 9.2 m 49.22 26.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 62.12 109.291 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 55.24 110.306 179.96 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' A' ' 25' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.277 -0.638 . . . . 63.34 109.277 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.4 ' CD2' ' N ' ' A' ' 26' ' ' HIS . 3.6 m-70 -90.72 128.61 36.72 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.478 1.111 . . . . 74.52 109.621 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -125.38 -98.96 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.163 . . . . 74.23 109.296 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.47 HG21 ' SG ' ' A' ' 17' ' ' CYS . 2.5 m -72.55 -28.59 62.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 61.25 110.405 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -143.35 -173.3 14.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.13 . . . . 73.33 111.038 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 151.16 39.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.52 1.8 . . . . 64.11 111.005 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -68.51 129.4 39.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 54.23 109.285 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.468 ' O ' HG22 ' A' ' 102' ' ' THR . 7.1 mp -86.84 78.4 9.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 74.54 109.326 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -114.32 -54.36 2.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 64.43 109.641 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.412 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -102.04 22.56 37.64 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.498 1.124 . . . . 75.21 111.067 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.404 ' HB3' HG21 ' A' ' 102' ' ' THR . 6.8 tp -42.11 -74.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 70.13 109.292 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -62.96 111.05 1.99 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 61.41 110.978 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.96 38.39 4.64 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.519 1.137 . . . . 44.23 111.007 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.412 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 22.1 ttp180 -151.25 107.1 3.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.461 0.742 . . . . 74.14 110.336 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.99 167.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 65.41 109.309 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.1 p -77.11 151.78 35.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 75.44 110.409 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 52.58 57.83 12.89 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.559 1.162 . . . . 62.5 111.025 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 43' ' ' ALA . 18.5 mm100 -111.49 -42.82 3.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 74.22 110.337 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.51 99.87 0.2 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 70.23 109.3 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -75.0 -6.76 18.46 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.484 1.781 . . . . 70.11 111.003 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -94.24 -30.15 8.98 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.441 1.088 . . . . 63.41 110.967 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.403 ' O ' ' CE1' ' A' ' 48' ' ' TYR . 23.1 t80 -140.09 108.8 5.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 0.744 . . . . 73.2 111.009 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.4 p -78.28 145.87 35.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 74.42 110.011 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.527 ' CD1' ' N ' ' A' ' 48' ' ' TYR . 2.2 m-30 -97.7 -173.66 2.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 74.5 111.031 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.459 ' CG2' ' HG2' ' A' ' 79' ' ' LYS . 3.1 p -50.93 175.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 65.43 110.382 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.73 -15.58 32.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.579 1.174 . . . . 65.45 109.261 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.78 -30.1 18.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 73.13 109.255 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.588 ' OD1' HD13 ' A' ' 75' ' ' ILE . 1.9 t30 -78.74 -50.91 10.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 72.12 109.319 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -44.42 -41.56 6.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 75.03 109.339 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -55.77 -45.97 78.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 64.31 109.328 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 52' ' ' ASN . 11.6 tptt -47.88 142.19 5.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 71.13 109.31 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.31 80.38 0.25 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.545 1.153 . . . . 74.1 110.983 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.8 pp -145.37 169.69 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 0.782 . . . . 74.01 109.28 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.9 mm -105.5 138.55 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 71.13 109.285 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -78.16 155.54 30.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 75.24 107.979 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.585 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -170.46 -158.73 14.87 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.541 1.15 . . . . 64.1 110.967 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -82.02 -37.8 25.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.76 . . . . 64.13 110.353 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -75.6 -59.71 2.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 64.11 109.285 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.401 ' H ' HG23 ' A' ' 63' ' ' THR . 72.5 p -47.74 -26.01 1.43 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 73.22 110.321 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.585 HD12 ' O ' ' A' ' 60' ' ' GLY . 32.8 mt -87.26 -38.97 15.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 75.52 109.342 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.1 mmt -57.82 -15.83 9.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 75.32 110.934 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -107.98 -41.68 4.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 74.21 110.325 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 14.1 t80 -62.2 -54.38 41.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 73.53 110.999 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.5 mt -58.42 -27.87 64.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 71.44 109.307 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -69.75 -32.28 70.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 72.12 110.249 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 42.4 m-20 -171.31 81.51 0.51 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 62.35 109.26 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.565 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.04 0.09 9.34 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.497 1.788 . . . . 74.42 111.013 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.51 -16.36 30.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 72.43 109.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -102.66 -25.43 13.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 55.5 109.313 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -73.25 -48.88 31.16 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.459 1.099 . . . . 73.43 110.945 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.588 HD13 ' OD1' ' A' ' 52' ' ' ASN . 5.1 mt -128.96 86.81 56.35 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 71.04 109.342 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 105.06 2.01 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 75.43 111.024 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 131.91 -10.69 5.42 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.42 1.075 . . . . 61.2 111.018 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.548 HG23 ' H ' ' A' ' 80' ' ' MET . 13.0 t -65.39 179.34 0.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 0.779 . . . . 74.51 110.378 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.459 ' HG2' ' CG2' ' A' ' 49' ' ' THR . 1.6 pttt -121.66 26.89 8.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 61.34 109.314 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.548 ' H ' HG23 ' A' ' 78' ' ' THR . 1.9 tpp -72.31 73.44 0.97 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.503 1.127 . . . . 75.05 110.982 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.682 HG22 ' O ' ' A' ' 81' ' ' ILE . 13.6 mt -66.11 81.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 73.13 109.331 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.517 ' CZ ' ' O ' ' A' ' 83' ' ' VAL . 10.1 t80 -148.78 145.68 27.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 64.53 111.054 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.517 ' O ' ' CZ ' ' A' ' 82' ' ' PHE . 21.4 m -81.23 148.2 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.572 1.17 . . . . 72.2 109.342 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -79.08 160.08 46.01 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.498 1.124 . . . . 44.21 110.95 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.456 HD12 ' HG2' ' A' ' 91' ' ' ARG . 4.1 mt -107.75 155.55 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 73.43 109.317 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -113.73 -40.36 3.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 72.24 109.243 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -70.84 148.76 47.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 71.11 109.324 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.1 mmtm -90.71 -44.41 9.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 73.43 109.236 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -55.15 -46.32 75.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.6 1.188 . . . . 73.44 110.233 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.09 -30.26 61.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 64.24 110.358 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.456 ' HG2' HD12 ' A' ' 85' ' ' ILE . 49.0 mtm-85 -83.38 -30.09 27.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 42.25 110.282 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.41 -54.25 31.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 62.14 109.38 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 96' ' ' ALA . 0.9 OUTLIER -59.15 -56.02 27.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.627 1.204 . . . . 75.33 109.335 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.572 ' CD1' HD12 ' A' ' 98' ' ' LEU . 2.5 tm? -50.41 -28.47 8.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 64.13 109.353 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.442 HD12 ' O ' ' A' ' 91' ' ' ARG . 55.3 mt -86.86 -29.05 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.591 1.182 . . . . 73.24 109.348 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -68.86 -27.33 65.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 61.14 109.301 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.822 ' HA ' HG12 ' A' ' 3' ' ' VAL . 0.8 OUTLIER -95.21 -29.18 14.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.152 . . . . 74.52 111.005 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.572 HD12 ' CD1' ' A' ' 94' ' ' LEU . 10.9 mt -73.64 -42.52 61.3 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 61.35 109.275 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -72.96 -16.24 61.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 74.1 109.284 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -102.48 -15.76 16.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 72.11 109.246 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 97' ' ' TYR . . . -81.44 -40.36 23.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 75.14 109.286 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 98' ' ' LEU . 13.8 p -92.15 20.96 5.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.417 1.073 . . . . 73.13 110.415 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -127.42 -51.41 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 70.44 109.327 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 74.3 110.302 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.016 -0.834 . . . . 52.2 111.016 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -41.83 153.53 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 0.764 . . . . 63.42 109.346 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.858 HG12 ' HA ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -112.23 -50.1 5.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 75.34 109.204 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 3' ' ' VAL . 29.1 mt-10 -38.41 -54.48 1.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 73.12 110.321 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.6 mmtp -47.12 -46.79 23.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 75.51 109.304 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.446 ' O ' ' CB ' ' A' ' 10' ' ' PHE . . . -74.91 -23.34 75.02 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 72.04 110.979 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.552 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 2.1 tppp? -71.84 -36.8 70.29 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.531 0.783 . . . . 74.43 109.311 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -79.93 -40.35 28.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 60.43 109.322 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.824 HG23 ' CE ' ' A' ' 13' ' ' LYS . 23.2 mt -69.02 -30.93 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 74.32 109.302 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.554 ' CE1' HG11 ' A' ' 20' ' ' VAL . 21.7 t80 -70.33 -17.04 63.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 72.24 111.032 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.449 ' O ' ' CB ' ' A' ' 15' ' ' SER . 56.8 mt -84.59 -58.96 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 74.44 109.277 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.4 mtt -63.99 -12.26 36.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 65.42 110.881 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.824 ' CE ' HG23 ' A' ' 9' ' ' ILE . 38.3 mttm -112.42 -34.1 5.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 64.41 109.284 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.495 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -134.39 78.12 1.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 32.54 108.375 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -115.06 147.64 39.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 63.31 110.036 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 39.22 38.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 65.25 110.345 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.3 m -137.04 -70.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 75.41 108.298 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.507 ' ND1' HD23 ' A' ' 32' ' ' LEU . 83.1 m-70 -91.42 159.54 15.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 64.33 109.629 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.499 ' C ' HG22 ' A' ' 20' ' ' VAL . 6.6 p -113.11 -28.34 7.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 63.55 110.37 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.554 HG11 ' CE1' ' A' ' 10' ' ' PHE . 28.6 m 46.05 26.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.544 1.153 . . . . 62.12 109.359 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 19' ' ' THR . 5.3 mt-10 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 55.24 110.277 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.441 ' O ' HG21 ' A' ' 19' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.341 -0.614 . . . . 63.34 109.341 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -76.62 119.94 21.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.446 1.091 . . . . 74.52 109.649 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -107.79 -95.88 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 74.23 109.325 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.8 m -80.82 -31.27 35.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 61.25 110.413 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.89 -160.04 8.19 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.515 1.134 . . . . 73.33 111.032 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.487 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 18.5 Cg_endo -74.95 150.37 38.29 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.533 1.807 . . . . 64.11 111.031 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -72.34 131.46 42.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 54.23 109.349 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.507 HD23 ' ND1' ' A' ' 18' ' ' HIS . 1.9 mm? -87.39 81.01 7.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 74.54 109.246 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -119.36 -56.22 2.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 64.43 109.617 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.16 58.53 0.6 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.119 . . . . 75.21 110.972 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.1 tp -75.5 -74.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 70.13 109.238 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.496 ' CZ ' ' HB2' ' A' ' 99' ' ' LYS . 24.5 m-85 -67.86 120.72 14.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 61.41 111.03 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.48 30.27 8.75 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 44.23 110.969 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.3 ttp180 -148.72 158.31 44.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 0.766 . . . . 74.14 110.328 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.436 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 13.0 mtmt -90.16 -179.49 5.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 65.41 109.34 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.3 p -87.18 133.18 33.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 75.44 110.451 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.527 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 71.01 54.22 9.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.557 1.16 . . . . 62.5 110.976 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 43' ' ' ALA . 66.7 mm-40 -107.99 -23.41 12.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 0.709 . . . . 74.22 110.312 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.539 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -39.54 99.93 0.2 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 70.23 109.361 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.0 Cg_endo -75.01 58.06 4.78 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 70.11 110.936 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -176.0 -37.99 0.05 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 63.41 111.092 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -119.32 123.46 44.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.778 . . . . 73.2 111.021 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.9 p -101.25 130.9 47.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 74.42 109.986 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.629 ' CD1' ' N ' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -91.76 -175.53 4.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 74.5 111.075 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.87 HG23 ' HE2' ' A' ' 79' ' ' LYS . 8.1 p -58.67 179.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 65.43 110.42 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.64 12.97 15.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 65.45 109.345 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.58 -47.93 5.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 73.13 109.327 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.644 ' OD1' HD13 ' A' ' 75' ' ' ILE . 3.2 t30 -85.01 -47.16 10.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 72.12 109.291 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -46.42 -49.45 18.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 75.03 109.318 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -60.7 -31.51 70.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 64.31 109.333 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' ASN . 26.4 tptt -56.04 143.16 33.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 71.13 109.257 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.34 80.91 0.24 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 74.1 110.946 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.501 HD13 ' OH ' ' A' ' 74' ' ' TYR . 2.5 pp -145.36 170.51 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 0.737 . . . . 74.01 109.336 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.5 ' O ' HG21 ' A' ' 63' ' ' THR . 3.7 mm -106.7 137.32 37.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.109 . . . . 71.13 109.276 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 66.0 m95 -80.22 149.47 30.43 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.989 -1.115 . . . . 75.24 107.989 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.687 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -176.59 -165.46 32.2 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.469 1.105 . . . . 64.1 110.992 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.578 ' OE1' HG21 ' A' ' 95' ' ' ILE . 3.7 mm-40 -74.34 -33.29 63.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.796 . . . . 64.13 110.372 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.61 -55.19 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 64.11 109.309 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.5 HG21 ' O ' ' A' ' 58' ' ' ILE . 3.6 p -59.77 -49.0 79.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 73.22 110.413 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.687 HD12 ' O ' ' A' ' 60' ' ' GLY . 22.2 mt -57.52 -52.38 65.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 75.52 109.247 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.3 mmt -49.89 -21.87 1.31 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 1.164 . . . . 75.32 111.052 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -99.55 -30.64 12.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 74.21 110.299 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.53 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 3.5 t80 -73.88 -60.81 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 73.53 110.987 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.619 HD21 HD12 ' A' ' 94' ' ' LEU . 11.1 mp -44.19 -47.38 9.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.157 . . . . 71.44 109.321 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -52.0 -43.84 63.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 72.12 110.273 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -166.16 86.9 0.9 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 62.35 109.321 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.53 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.93 -0.27 9.73 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.503 1.791 . . . . 74.42 111.024 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -44.95 17.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 72.43 109.274 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -42.3 82.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 55.5 109.288 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.501 ' OH ' HD13 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -55.33 -58.46 7.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 73.43 110.964 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.644 HD13 ' OD1' ' A' ' 52' ' ' ASN . 3.6 mt -130.9 85.05 56.42 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 71.04 109.337 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.86 135.11 18.91 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.438 1.757 . . . . 75.43 111.082 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.13 6.9 58.75 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 61.2 111.082 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.5 t -72.8 168.11 19.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 0.758 . . . . 74.51 110.415 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.87 ' HE2' HG23 ' A' ' 49' ' ' THR . 23.8 mttm -80.99 -21.11 40.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.153 . . . . 61.34 109.238 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.5 tpp -43.01 138.34 2.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 75.05 110.978 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.401 HG22 ' O ' ' A' ' 81' ' ' ILE . 22.7 mm -116.23 47.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 73.13 109.3 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.42 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 11.8 t80 -118.24 148.7 42.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 64.53 111.037 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.7 m -98.41 -32.03 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 72.2 109.273 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.42 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 124.32 -179.75 16.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.557 1.16 . . . . 44.21 111.025 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.4 mt -120.89 138.42 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.754 . . . . 73.43 109.295 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -94.51 -27.64 15.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 72.24 109.282 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 40.1 mttp -90.35 107.31 19.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 71.11 109.293 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.9 tttm -61.75 -33.45 74.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.086 . . . . 73.43 109.293 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -61.87 -33.65 74.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 73.44 110.22 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.27 -8.51 57.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 64.24 110.334 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.438 ' O ' ' CG1' ' A' ' 95' ' ' ILE . 47.7 mtt180 -89.28 -34.06 16.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 42.25 110.264 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 96' ' ' ALA . . . -67.3 -51.35 53.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 62.14 109.283 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.05 -45.36 95.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 75.33 109.316 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.622 HD13 HD12 ' A' ' 98' ' ' LEU . 1.9 tm? -64.22 -36.69 84.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 64.13 109.323 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.578 HG21 ' OE1' ' A' ' 61' ' ' GLU . 68.3 mt -79.78 -16.25 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 73.24 109.338 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 92' ' ' ALA . . . -74.42 -40.01 62.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 61.14 109.245 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.858 ' HA ' HG12 ' A' ' 3' ' ' VAL . 1.2 t80 -86.1 -27.34 24.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 74.52 110.94 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.622 HD12 HD13 ' A' ' 94' ' ' LEU . 10.7 mt -73.97 -31.35 62.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 61.35 109.273 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 60.2 tttm -83.81 -14.5 51.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 74.1 109.335 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -107.09 -14.65 14.87 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 72.11 109.296 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 97' ' ' TYR . . . -77.42 -48.57 16.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 75.14 109.303 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 31.0 p -88.72 17.83 5.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.411 1.07 . . . . 73.13 110.366 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -107.97 -40.72 5.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 70.44 109.274 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 74.3 110.341 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.584 ' O ' ' HB1' ' A' ' 96' ' ' ALA . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.972 -0.851 . . . . 52.2 110.972 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.42 153.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.741 . . . . 63.42 109.275 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.61 HG23 ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -110.35 -39.72 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 75.34 109.283 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -51.84 -49.32 63.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.403 1.065 . . . . 73.12 110.314 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.598 ' O ' HD12 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -58.22 -20.63 43.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 75.51 109.231 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.19 -22.08 13.88 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.148 . . . . 72.04 110.986 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.562 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 23.9 tttm -76.71 -25.26 53.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.788 . . . . 74.43 109.357 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -82.61 -44.64 15.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.611 1.194 . . . . 60.43 109.251 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.748 HG23 ' HE2' ' A' ' 13' ' ' LYS . 22.4 mt -68.45 -37.48 77.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 74.32 109.34 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.559 ' CE1' HG11 ' A' ' 20' ' ' VAL . 17.3 t80 -59.46 -17.45 31.29 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.103 . . . . 72.24 111.005 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.472 ' O ' ' CB ' ' A' ' 15' ' ' SER . 17.5 mt -84.27 -60.46 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 74.44 109.295 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.7 mmm -64.48 -10.6 26.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 65.42 111.026 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.748 ' HE2' HG23 ' A' ' 9' ' ' ILE . 49.6 mttm -112.79 -36.16 5.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 64.41 109.355 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.487 ' HB2' ' CD1' ' A' ' 10' ' ' PHE . 1.4 m -133.14 75.7 1.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 32.54 108.292 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER -111.24 143.9 41.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 63.31 110.044 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 38.96 36.92 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 65.25 110.261 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 m -134.78 -48.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 75.41 108.251 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -115.63 129.0 56.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 64.33 109.609 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.502 ' O ' HG22 ' A' ' 20' ' ' VAL . 25.5 p -83.05 -32.37 26.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 63.55 110.383 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.559 HG11 ' CE1' ' A' ' 10' ' ' PHE . 36.0 m 46.33 51.29 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 62.12 109.367 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 55.24 110.246 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.255 -0.646 . . . . 63.34 109.255 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -130.53 73.79 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 74.52 109.588 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' GLY . 24.9 mmmt -53.59 -173.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 74.23 109.291 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 m -38.84 -29.92 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.481 1.113 . . . . 61.25 110.375 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -115.9 164.43 12.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 73.33 111.073 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 148.72 35.4 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.532 1.806 . . . . 64.11 110.995 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.529 ' O ' HD23 ' A' ' 32' ' ' LEU . 7.1 t30 -58.2 144.09 41.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 54.23 109.295 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.567 ' O ' HG22 ' A' ' 102' ' ' THR . 11.4 mt -124.68 83.06 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 74.54 109.335 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -103.24 -40.25 6.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 64.43 109.598 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.44 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -101.74 27.76 18.99 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.127 . . . . 75.21 111.012 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.459 ' CB ' HG21 ' A' ' 102' ' ' THR . 12.5 tp -40.43 -68.55 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 70.13 109.326 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.542 ' CE2' ' HA ' ' A' ' 99' ' ' LYS . 29.6 m-85 -76.34 95.73 3.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.619 1.2 . . . . 61.41 110.952 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.22 32.25 1.7 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.584 1.177 . . . . 44.23 110.961 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.44 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 51.0 ttm-85 -145.28 138.41 26.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 74.14 110.318 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.456 ' HD3' ' CD1' ' A' ' 58' ' ' ILE . 2.7 mppt? -76.17 -175.24 3.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.455 1.097 . . . . 65.41 109.268 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.7 p -96.89 124.32 40.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 75.44 110.369 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.72 64.54 1.37 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.144 . . . . 62.5 110.961 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 44' ' ' PRO . 25.1 mm100 -123.9 -41.8 2.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 0.794 . . . . 74.22 110.281 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.474 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . . . -39.52 99.92 0.2 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.085 . . . . 70.23 109.282 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -75.01 -15.49 20.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.55 1.816 . . . . 70.11 110.968 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.71 -49.21 6.69 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.568 1.168 . . . . 63.41 111.005 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -133.55 91.81 2.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 73.2 111.0 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 64.1 p -64.8 144.42 57.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 74.42 109.975 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.598 ' CD1' ' N ' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -87.89 -174.94 4.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 74.5 111.022 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.0 p -55.81 175.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 65.43 110.364 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.9 -15.73 43.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 65.45 109.323 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.5 -27.82 34.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 73.13 109.32 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' LYS . 2.0 t30 -87.87 -52.9 5.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 72.12 109.305 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -41.87 -30.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 75.03 109.287 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.407 ' N ' ' C ' ' A' ' 52' ' ' ASN . 3.8 m-20 -65.06 -51.89 58.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 64.31 109.292 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 52' ' ' ASN . 23.1 tptt -40.59 140.44 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 71.13 109.275 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.59 66.03 0.48 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.547 1.155 . . . . 74.1 111.027 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.8 pp -133.61 164.25 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 74.01 109.243 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.456 ' CD1' ' HD3' ' A' ' 39' ' ' LYS . 2.7 mm -92.58 138.67 19.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.466 1.104 . . . . 71.13 109.334 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -81.51 100.0 9.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.107 . . . . 75.24 108.03 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -114.91 -167.42 15.48 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.502 1.126 . . . . 64.1 111.03 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -75.67 -52.59 10.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 0.733 . . . . 64.13 110.373 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -53.86 -49.24 68.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 64.11 109.277 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 64.7 p -56.76 -65.83 0.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 73.22 110.37 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.564 ' O ' HD12 ' A' ' 68' ' ' LEU . 45.5 mt -43.95 -42.35 5.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.577 1.173 . . . . 75.52 109.316 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.535 ' HE3' ' HB3' ' A' ' 91' ' ' ARG . 3.5 tpt -48.74 -56.84 7.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 75.32 110.94 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -70.45 -58.2 3.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 74.21 110.36 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -43.04 -31.91 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.065 . . . . 73.53 111.033 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 64' ' ' LEU . 10.3 mt -70.79 -50.63 33.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 71.44 109.3 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -51.28 -32.15 23.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 72.12 110.359 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -168.01 88.57 0.69 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 62.35 109.334 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.28 1.24 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.533 1.807 . . . . 74.42 110.955 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.4 -50.65 51.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 72.43 109.287 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -60.93 -52.81 63.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 55.5 109.302 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -48.45 -28.94 3.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 73.43 111.016 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.1 mt -148.41 90.07 5.01 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 71.04 109.325 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 122.39 7.16 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.433 1.754 . . . . 75.43 110.988 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.34 3.15 38.3 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 61.2 110.987 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.4 t -70.77 160.74 32.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 74.51 110.337 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -83.02 -39.98 20.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 61.34 109.269 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.3 ttt -45.06 129.51 7.57 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.487 1.117 . . . . 75.05 110.991 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mt -109.73 124.16 66.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 73.13 109.353 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -154.63 176.9 11.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 64.53 110.956 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.2 m -122.54 -45.72 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 72.2 109.319 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.11 139.41 5.34 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.577 1.173 . . . . 44.21 111.011 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 14.8 mt -92.34 145.04 8.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.503 0.766 . . . . 73.43 109.278 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.82 -63.58 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 72.24 109.254 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -57.11 110.91 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 71.11 109.333 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -22.15 66.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 73.43 109.313 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -64.71 -32.29 73.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 73.44 110.255 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -77.45 -31.71 54.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 64.24 110.265 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.535 ' HB3' ' HE3' ' A' ' 65' ' ' MET . 88.6 mtm-85 -74.37 -22.48 59.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 42.25 110.262 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.92 -45.8 23.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 62.14 109.285 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.73 -51.29 43.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 75.33 109.243 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 65.0 tp -47.23 -38.54 12.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 64.13 109.302 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.509 HD12 ' O ' ' A' ' 91' ' ' ARG . 81.9 mt -78.17 -42.74 27.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 73.24 109.35 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.584 ' HB1' ' O ' ' A' ' 1' ' ' GLY . . . -52.45 -22.22 4.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 61.14 109.28 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.709 ' CE1' ' HB2' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -93.19 -55.66 3.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 74.52 111.012 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.605 ' O ' HG23 ' A' ' 102' ' ' THR . 13.9 mt -53.67 -24.65 15.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 61.35 109.317 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.542 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 10.9 pttp -76.6 -32.83 58.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 74.1 109.323 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -90.96 -14.6 31.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 72.11 109.328 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.709 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -82.61 -48.24 11.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 75.14 109.297 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 98' ' ' LEU . 41.7 p -81.71 4.47 21.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 73.13 110.398 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -104.13 -62.08 1.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 70.44 109.237 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 74.3 110.294 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.979 -0.848 . . . . 52.2 110.979 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -52.08 163.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 63.42 109.277 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.848 HG12 ' HA ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -114.75 -52.02 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.108 . . . . 75.34 109.273 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -40.49 -50.91 2.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.622 1.201 . . . . 73.12 110.336 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -50.44 -44.03 55.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 75.51 109.258 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -79.37 -20.14 70.05 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.479 1.112 . . . . 72.04 111.044 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.565 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 15.8 ttpp -76.04 -21.12 57.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.401 0.707 . . . . 74.43 109.272 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -90.02 -29.55 18.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 60.43 109.286 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.669 HG23 ' CE ' ' A' ' 13' ' ' LYS . 18.7 mt -85.38 -19.28 8.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.163 . . . . 74.32 109.333 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.472 ' CD1' ' HB2' ' A' ' 14' ' ' CYS . 9.4 t80 -78.1 -25.32 47.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 72.24 111.073 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.497 ' O ' ' CB ' ' A' ' 15' ' ' SER . 56.8 mt -81.82 -74.4 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 74.44 109.253 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 34.2 mmm -38.38 -29.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.46 1.1 . . . . 65.42 111.037 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.669 ' CE ' HG23 ' A' ' 9' ' ' ILE . 34.6 mttm -99.23 -65.63 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 64.41 109.32 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.472 ' HB2' ' CD1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -92.81 62.22 3.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.088 . . . . 32.54 108.303 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -101.21 151.55 21.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 63.31 110.007 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 38.95 30.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 65.25 110.27 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.434 ' HA ' ' CG2' ' A' ' 28' ' ' THR . 2.0 m -132.7 -71.43 0.53 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 75.41 108.302 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -93.93 155.31 17.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 64.33 109.591 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.686 ' O ' HG22 ' A' ' 20' ' ' VAL . 56.9 p -117.2 -36.13 3.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 63.55 110.363 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.701 HG12 ' HB2' ' A' ' 32' ' ' LEU . 8.7 m 49.05 27.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 62.12 109.266 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.427 ' CG ' ' HB ' ' A' ' 19' ' ' THR . 1.8 pt-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 55.24 110.311 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 pttp . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.279 -0.638 . . . . 63.34 109.279 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.428 ' CE1' ' H ' ' A' ' 31' ' ' ASN . 7.3 m170 -64.02 131.38 47.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 74.52 109.588 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.63 -85.21 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 74.23 109.279 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.434 ' CG2' ' HA ' ' A' ' 17' ' ' CYS . 24.2 p -87.92 -34.98 17.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 61.25 110.374 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -136.3 -176.74 14.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.442 1.089 . . . . 73.33 110.979 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.449 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -75.02 143.34 28.89 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.408 1.741 . . . . 64.11 110.985 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.565 ' O ' HD22 ' A' ' 32' ' ' LEU . 13.7 t-20 -53.08 161.75 0.78 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.6 1.188 . . . . 54.23 109.306 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.872 ' O ' HG22 ' A' ' 102' ' ' THR . 2.7 mm? -120.93 72.85 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 74.54 109.243 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -120.9 -48.67 2.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 64.43 109.625 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.11 22.88 36.4 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 75.21 110.965 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.73 ' HB2' HD13 ' A' ' 32' ' ' LEU . 10.9 tp -49.4 -74.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 70.13 109.316 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.537 ' CE2' ' HG3' ' A' ' 99' ' ' LYS . 8.3 m-85 -54.5 132.56 44.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 61.41 111.027 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.89 33.32 41.97 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.532 1.145 . . . . 44.23 111.055 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -145.21 135.83 24.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 0.749 . . . . 74.14 110.256 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.443 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 6.8 mtmm -73.1 -178.86 3.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 65.41 109.29 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.0 p -90.06 141.53 28.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 75.44 110.391 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.417 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 61.99 57.98 14.85 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.565 1.165 . . . . 62.5 111.025 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 44' ' ' PRO . 96.4 mm-40 -115.63 -41.91 3.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 74.22 110.286 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.44 99.84 0.2 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 70.23 109.355 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.4 Cg_endo -74.95 -0.62 10.16 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.5 1.79 . . . . 70.11 111.019 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.12 -46.62 2.8 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 63.41 111.008 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.443 ' O ' ' CE1' ' A' ' 48' ' ' TYR . 36.9 t80 -125.82 81.61 2.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 0.778 . . . . 73.2 111.004 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.6 t -56.28 139.49 47.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.58 1.175 . . . . 74.42 110.005 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.545 ' CD1' ' N ' ' A' ' 48' ' ' TYR . 1.9 m-30 -91.73 -175.99 4.33 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.63 1.206 . . . . 74.5 111.039 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 p -62.51 161.26 12.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 65.43 110.339 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.51 -23.17 66.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 65.45 109.247 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.94 -70.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 73.13 109.277 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.96 -42.19 36.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.406 1.066 . . . . 72.12 109.297 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -48.27 -50.21 30.7 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.414 1.071 . . . . 75.03 109.244 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -49.14 -55.66 11.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 64.31 109.265 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.476 ' HE3' ' CE1' ' A' ' 74' ' ' TYR . 4.9 tppt? -43.39 137.79 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 71.13 109.298 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.25 64.7 0.5 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.567 1.167 . . . . 74.1 111.029 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.454 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.0 pp -124.87 164.91 22.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.509 0.77 . . . . 74.01 109.287 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.443 ' CD1' ' HG3' ' A' ' 39' ' ' LYS . 4.1 mm -92.19 142.65 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 71.13 109.312 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.569 ' CH2' ' CD2' ' A' ' 67' ' ' TYR . 23.1 m95 -86.54 152.15 22.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 75.24 108.015 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.415 ' C ' ' N ' ' A' ' 62' ' ' ASP . . . 178.12 146.52 6.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.118 . . . . 64.1 111.031 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.586 ' CB ' ' CG2' ' A' ' 95' ' ' ILE . 1.4 pt-20 -40.18 -29.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 64.13 110.268 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.415 ' N ' ' C ' ' A' ' 60' ' ' GLY . 0.4 OUTLIER -67.18 -61.93 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 64.11 109.323 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.9 p -58.93 -26.08 64.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 73.22 110.369 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.436 HD11 HD21 ' A' ' 35' ' ' LEU . 70.1 mt -73.06 -41.84 63.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 75.52 109.328 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 34.0 tpp -61.29 -18.42 58.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.075 . . . . 75.32 111.05 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -107.58 -27.67 10.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 74.21 110.259 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.637 ' CE1' ' CB ' ' A' ' 71' ' ' PRO . 7.8 t80 -87.59 -10.63 50.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 73.53 110.997 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.428 ' HA ' HD23 ' A' ' 68' ' ' LEU . 12.9 mt -84.12 -37.45 21.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 71.44 109.265 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -51.59 -35.55 41.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 72.12 110.225 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -170.56 82.91 0.55 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 62.35 109.305 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.637 ' CB ' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.04 0.18 9.23 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.582 1.833 . . . . 74.42 111.038 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -84.87 -18.76 33.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 72.43 109.302 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -94.81 -52.23 4.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 55.5 109.303 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.476 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 2.9 t80 -41.35 -28.85 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 73.43 111.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.643 HG22 ' HB ' ' A' ' 78' ' ' THR . 6.5 mt -143.62 90.13 7.2 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 71.04 109.291 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 119.57 5.7 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.451 1.764 . . . . 75.43 110.942 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.04 13.27 34.28 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.46 1.1 . . . . 61.2 110.959 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.643 ' HB ' HG22 ' A' ' 75' ' ' ILE . 13.2 t -81.34 175.02 10.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 74.51 110.397 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.437 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 3.0 mtmt -96.05 -15.95 21.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 61.34 109.246 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.1 tpp -51.77 108.94 0.31 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.144 . . . . 75.05 110.996 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.437 ' CD1' ' O ' ' A' ' 79' ' ' LYS . 16.5 mm -93.43 69.83 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 73.13 109.295 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -146.28 128.79 16.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 64.53 111.032 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.9 m -87.6 -15.69 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 72.2 109.363 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 97.45 168.14 32.69 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.562 1.164 . . . . 44.21 111.046 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.485 HD12 ' H ' ' A' ' 85' ' ' ILE . 2.8 mp -99.45 167.95 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.558 0.799 . . . . 73.43 109.233 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.46 ' N ' HG22 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -105.26 -65.19 1.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.16 . . . . 72.24 109.317 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -47.05 130.14 12.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.61 1.194 . . . . 71.11 109.296 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -74.91 -34.29 62.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.568 1.168 . . . . 73.43 109.269 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -62.49 -43.4 98.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 73.44 110.266 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.487 ' OE2' HD11 ' A' ' 9' ' ' ILE . 2.6 mm-40 -64.58 -33.9 77.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 64.24 110.313 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.438 ' NH1' ' O ' ' A' ' 85' ' ' ILE . 52.8 mtm-85 -72.04 -37.27 69.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 42.25 110.275 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.98 -61.71 2.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 62.14 109.321 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 96' ' ' ALA . 28.0 m-20 -52.6 -53.98 39.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 75.33 109.272 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.415 ' HG ' ' CD1' ' A' ' 98' ' ' LEU . 58.4 tp -47.78 -39.91 19.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 64.13 109.352 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.586 ' CG2' ' CB ' ' A' ' 61' ' ' GLU . 65.2 mt -75.99 -30.18 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 73.24 109.3 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -66.08 -32.97 74.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 61.14 109.334 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.848 ' HA ' HG12 ' A' ' 3' ' ' VAL . 0.9 OUTLIER -90.02 -35.64 15.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 74.52 111.024 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.415 ' CD1' ' HG ' ' A' ' 94' ' ' LEU . 38.1 mt -63.93 -18.84 64.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 61.35 109.292 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.537 ' HG3' ' CE2' ' A' ' 36' ' ' PHE . 32.1 tttm -95.4 -52.57 4.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 74.1 109.328 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -64.38 -15.7 60.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 72.11 109.284 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 97' ' ' TYR . . . -78.83 -57.18 3.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 75.14 109.308 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.872 HG22 ' O ' ' A' ' 32' ' ' LEU . 44.7 p -71.74 -20.7 61.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 73.13 110.41 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -64.22 -65.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 70.44 109.261 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 74.3 110.327 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.039 -0.824 . . . . 52.2 111.039 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -42.43 154.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 0.817 . . . . 63.42 109.337 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.839 HG12 ' HA ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -113.11 -53.23 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 75.34 109.311 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -38.43 -57.14 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 73.12 110.322 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.496 ' O ' HD12 ' A' ' 9' ' ' ILE . 5.0 mptp? -45.16 -45.02 11.24 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 75.51 109.294 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -73.92 -26.8 68.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 72.04 110.974 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.552 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 8.5 ttpp -75.41 -20.55 58.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.463 0.743 . . . . 74.43 109.278 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -94.04 -19.56 20.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 60.43 109.276 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.496 HD12 ' O ' ' A' ' 5' ' ' LYS . 19.8 mt -98.1 -15.4 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 74.32 109.299 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.622 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 9.1 t80 -84.93 -29.11 25.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 72.24 110.996 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.494 ' O ' ' CB ' ' A' ' 15' ' ' SER . 84.8 mt -81.63 -69.1 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 74.44 109.27 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.2 mmt -38.12 -30.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 65.42 111.012 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.538 ' HE2' ' CZ ' ' A' ' 82' ' ' PHE . 4.9 mtpm? -103.36 -67.77 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 64.41 109.302 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -84.77 60.31 6.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 32.54 108.285 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -100.54 152.49 20.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 63.31 110.018 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.403 ' HA ' ' NZ ' ' A' ' 27' ' ' LYS . 16.0 mt-30 39.75 31.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 65.25 110.372 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.7 m -135.1 -67.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 75.41 108.334 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -97.23 151.03 20.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 64.33 109.58 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.673 ' O ' HG22 ' A' ' 20' ' ' VAL . 17.4 p -114.08 -32.02 6.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 63.55 110.334 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 19' ' ' THR . 12.1 m 48.72 27.46 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 62.12 109.286 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 55.24 110.28 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.347 -0.612 . . . . 63.34 109.347 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -73.01 121.97 20.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 74.52 109.562 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.403 ' NZ ' ' HA ' ' A' ' 16' ' ' GLN . 30.0 mtmt -110.45 -101.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 74.23 109.262 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -74.74 -28.65 60.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 61.25 110.44 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -143.28 -162.76 9.47 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.55 1.156 . . . . 73.33 110.983 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.409 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.01 152.7 41.02 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.441 1.759 . . . . 64.11 110.916 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -76.44 135.12 39.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 54.23 109.321 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.2 mt -94.37 81.19 3.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 74.54 109.355 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -104.75 -58.53 1.87 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 64.43 109.597 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.07 37.63 3.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.431 1.082 . . . . 75.21 111.028 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.591 ' CB ' HG21 ' A' ' 102' ' ' THR . 42.9 tp -41.19 -54.48 2.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 70.13 109.249 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.553 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 15.0 m-85 -87.01 106.65 17.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 61.41 110.959 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.55 27.75 5.11 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 44.23 111.004 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -137.41 124.75 21.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 74.14 110.311 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -61.92 -174.39 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 65.41 109.32 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.7 p -94.05 111.63 23.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 75.44 110.367 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.473 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 88.77 62.15 1.4 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.524 1.14 . . . . 62.5 111.045 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 43' ' ' ALA . 20.2 mm100 -112.26 -39.73 4.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.41 0.712 . . . . 74.22 110.352 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.451 ' CB ' ' OH ' ' A' ' 48' ' ' TYR . . . -39.51 99.91 0.2 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 70.23 109.334 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -74.99 -1.52 11.32 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.519 1.8 . . . . 70.11 110.998 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.94 -14.7 28.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.465 1.103 . . . . 63.41 111.034 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -151.02 120.93 7.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 73.2 111.03 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.0 p -95.67 138.28 33.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 74.42 109.95 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.621 ' CD1' ' N ' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -98.24 -174.91 2.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 74.5 111.042 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.0 p -61.3 175.62 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.405 1.066 . . . . 65.43 110.327 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.86 -15.92 55.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 65.45 109.282 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.3 -51.49 17.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 73.13 109.275 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 55' ' ' LYS . 2.5 t30 -73.14 -51.5 17.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 72.12 109.278 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -47.3 -43.36 22.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 75.03 109.25 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -61.59 -35.98 79.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 64.31 109.315 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 52' ' ' ASN . 6.8 tptp -47.08 144.67 2.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.457 1.098 . . . . 71.13 109.348 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.6 68.48 0.44 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 74.1 111.014 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.645 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.2 pp -143.39 165.46 14.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.437 0.728 . . . . 74.01 109.323 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.6 mm -98.25 156.44 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 71.13 109.296 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -97.69 143.71 28.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 75.24 108.024 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.553 ' HA2' ' CE2' ' A' ' 36' ' ' PHE . . . -164.19 -153.07 7.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.113 . . . . 64.1 111.039 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -87.93 -37.94 16.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.471 0.747 . . . . 64.13 110.353 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -73.69 -49.45 25.7 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 64.11 109.318 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.6 p -60.53 -27.65 67.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 73.22 110.353 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 64' ' ' LEU . 19.7 mt -84.31 -39.88 18.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 75.52 109.329 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.487 ' HE2' ' HB3' ' A' ' 91' ' ' ARG . 3.8 mmt -53.61 -22.99 9.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 75.32 111.035 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -98.09 -47.73 5.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.11 . . . . 74.21 110.278 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.56 ' CD1' ' HB3' ' A' ' 71' ' ' PRO . 34.6 t80 -52.41 -41.09 62.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 73.53 111.049 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.6 mt -72.07 -43.09 65.42 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.557 1.161 . . . . 71.44 109.288 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -52.48 -39.14 60.87 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.496 1.123 . . . . 72.12 110.294 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -170.37 82.66 0.57 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 62.35 109.301 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.56 ' HB3' ' CD1' ' A' ' 67' ' ' TYR . 18.5 Cg_endo -74.9 0.08 9.29 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.779 . . . . 74.42 111.033 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.498 ' HA ' ' CE ' ' A' ' 72' ' ' LYS . 0.3 OUTLIER -80.34 -30.79 38.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 72.43 109.322 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -86.94 -34.91 19.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 55.5 109.307 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -59.73 -55.06 39.06 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.515 1.134 . . . . 73.43 111.006 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.2 mt -134.86 82.1 44.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 71.04 109.209 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 109.85 3.0 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.476 1.777 . . . . 75.43 110.931 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.4 -10.28 8.18 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.449 1.093 . . . . 61.2 111.013 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.1 t -54.47 160.7 1.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 74.51 110.37 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -78.32 -21.81 49.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.108 . . . . 61.34 109.271 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.2 ttt -64.89 119.74 11.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 75.05 110.974 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.3 mm -96.35 116.94 39.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 73.13 109.307 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.538 ' CZ ' ' HE2' ' A' ' 13' ' ' LYS . 14.5 t80 -172.95 165.93 5.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 64.53 111.032 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.52 HG23 ' N ' ' A' ' 84' ' ' GLY . 22.0 m -112.09 -52.26 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 72.2 109.328 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.52 ' N ' HG23 ' A' ' 83' ' ' VAL . . . 143.31 175.65 16.61 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 44.21 110.976 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.6 mt -110.94 147.21 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 73.43 109.314 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.87 -54.7 3.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 72.24 109.255 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.4 mtmm -65.33 113.41 4.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 71.11 109.269 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -71.61 -24.45 61.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 73.43 109.252 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -67.74 -42.79 81.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 73.44 110.262 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -63.44 -24.42 67.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 64.24 110.257 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.487 ' HB3' ' HE2' ' A' ' 65' ' ' MET . 38.3 mtm180 -73.06 -35.52 66.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 42.25 110.328 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.538 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -63.83 -35.23 79.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 62.14 109.297 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -76.37 -53.53 8.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 75.33 109.3 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.446 ' CD1' ' HB2' ' A' ' 10' ' ' PHE . 31.3 tp -56.95 -31.42 64.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 64.13 109.28 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.417 ' CG1' ' O ' ' A' ' 91' ' ' ARG . 69.6 mt -84.39 -37.35 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 73.24 109.368 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -63.49 -31.72 72.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.583 1.177 . . . . 61.14 109.36 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.839 ' HA ' HG12 ' A' ' 3' ' ' VAL . 0.4 OUTLIER -85.75 -31.42 22.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 74.52 111.006 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 102' ' ' THR . 12.4 mt -76.68 -27.34 55.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 61.35 109.279 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.542 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 15.9 pttm -79.11 -31.9 44.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 74.1 109.268 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -90.44 -25.89 20.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 72.11 109.358 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 97' ' ' TYR . . . -68.45 -48.31 64.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 75.14 109.371 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.591 HG21 ' CB ' ' A' ' 35' ' ' LEU . 42.7 p -82.85 6.78 17.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 73.13 110.477 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -96.74 -51.33 4.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 70.44 109.274 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 74.3 110.257 -179.92 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.983 -0.847 . . . . 52.2 110.983 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.25 175.57 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 0.791 . . . . 63.42 109.283 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.805 HG23 ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -110.81 -42.93 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 75.34 109.303 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.437 ' O ' ' CD ' ' A' ' 8' ' ' LYS . 1.2 mp0 -53.37 -32.81 51.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 73.12 110.347 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -69.47 -27.74 65.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.396 1.06 . . . . 75.51 109.298 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.24 -12.87 40.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.444 1.09 . . . . 72.04 110.93 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.562 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 22.9 tttp -74.44 -35.94 63.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 0.787 . . . . 74.43 109.312 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.437 ' CD ' ' O ' ' A' ' 4' ' ' GLU . 0.8 OUTLIER -69.2 -43.53 73.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 60.43 109.321 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.1 mt -64.71 -32.55 58.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 74.32 109.308 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.501 ' CZ ' ' CG1' ' A' ' 20' ' ' VAL . 61.9 t80 -73.0 -23.09 60.59 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.604 1.19 . . . . 72.24 111.016 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.7 mt -97.23 -9.9 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 74.44 109.322 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 6.9 mmt -105.4 -6.86 19.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 65.42 111.037 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -134.04 -66.01 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 64.41 109.326 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.493 ' HB2' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -88.48 55.79 3.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 32.54 108.309 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -108.95 156.11 20.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 63.31 109.956 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 48.39 24.01 0.66 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 65.25 110.301 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.7 m -130.81 -68.4 0.68 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.578 1.174 . . . . 75.41 108.309 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.649 ' ND1' HD11 ' A' ' 32' ' ' LEU . 80.8 m-70 -86.2 170.3 12.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 64.33 109.571 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.678 ' O ' HG22 ' A' ' 20' ' ' VAL . 41.2 p -121.32 -41.47 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 63.55 110.411 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.928 HG12 HD13 ' A' ' 32' ' ' LEU . 9.8 m 48.89 27.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.394 1.059 . . . . 62.12 109.293 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.414 ' CG ' ' HB ' ' A' ' 19' ' ' THR . 2.4 pt-20 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 55.24 110.345 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.5 pttt . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.308 -0.627 . . . . 63.34 109.308 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -87.23 83.35 7.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 74.52 109.643 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -66.76 -167.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 74.23 109.324 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 p -38.37 -37.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 61.25 110.386 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.98 156.71 15.45 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.496 1.123 . . . . 73.33 110.972 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 152.78 41.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.524 1.802 . . . . 64.11 110.973 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.521 ' ND2' ' H ' ' A' ' 32' ' ' LEU . 1.6 t30 -69.72 168.64 14.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 54.23 109.321 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.928 HD13 HG12 ' A' ' 20' ' ' VAL . 1.3 mp -140.63 107.87 5.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 74.54 109.339 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.427 ' H ' ' NH2' ' A' ' 38' ' ' ARG . 4.8 t-80 -116.39 -65.99 1.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 64.43 109.566 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.547 ' H ' HH21 ' A' ' 38' ' ' ARG . . . -102.08 34.16 5.93 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.563 1.165 . . . . 75.21 111.036 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.618 HD13 HD23 ' A' ' 32' ' ' LEU . 5.6 tp -40.55 -40.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 0.787 . . . . 70.13 109.276 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.562 ' CE1' ' CB ' ' A' ' 99' ' ' LYS . 12.2 m-85 -90.85 93.95 9.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 61.41 111.003 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.73 4.04 9.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.454 1.096 . . . . 44.23 110.936 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.547 HH21 ' H ' ' A' ' 34' ' ' GLY . 8.6 ptp180 -105.49 165.62 11.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 0.774 . . . . 74.14 110.318 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.859 ' N ' ' HZ2' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -96.18 -177.66 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 65.41 109.272 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.406 HG21 HG13 ' A' ' 57' ' ' ILE . 4.6 p -91.09 110.06 21.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 75.44 110.367 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.07 42.51 4.65 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 62.5 111.017 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 44' ' ' PRO . 13.7 mm100 -94.76 -32.37 13.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 0.776 . . . . 74.22 110.294 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.51 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -39.39 99.8 0.2 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 70.23 109.364 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.411 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -74.89 -14.54 21.38 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.509 1.794 . . . . 70.11 110.995 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -87.32 -7.39 76.52 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.522 1.138 . . . . 63.41 111.008 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -169.09 113.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 73.2 110.988 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.2 m -83.36 132.26 35.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 74.42 110.042 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.51 ' OH ' ' HB2' ' A' ' 43' ' ' ALA . 3.3 m-30 -85.42 178.58 7.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 74.5 110.973 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.8 p -60.92 179.16 0.19 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.494 1.121 . . . . 65.43 110.375 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.74 9.7 18.08 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.502 1.126 . . . . 65.45 109.327 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.64 -30.91 12.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.402 1.064 . . . . 73.13 109.282 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.668 ' OD1' HD13 ' A' ' 75' ' ' ILE . 0.6 OUTLIER -100.62 -40.37 7.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 72.12 109.281 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -60.17 -43.01 96.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 75.03 109.314 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 55' ' ' LYS . 51.7 p-10 -63.1 -15.35 56.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 64.31 109.307 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.449 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 19.9 tptt -73.56 150.53 41.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 71.13 109.343 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.61 75.54 0.32 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 74.1 110.97 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.626 HD12 ' C ' ' A' ' 57' ' ' ILE . 1.8 pp -144.75 149.57 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 74.01 109.239 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.444 HD13 ' HD3' ' A' ' 39' ' ' LYS . 1.9 mm -82.95 124.07 39.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 71.13 109.27 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.432 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 7.2 m95 -66.74 100.8 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.97 -1.122 . . . . 75.24 107.97 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -115.16 -158.91 12.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.568 1.167 . . . . 64.1 111.043 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.441 ' CG ' HG21 ' A' ' 95' ' ' ILE . 3.0 tt0 -89.47 -55.6 3.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 0.803 . . . . 64.13 110.333 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -54.95 -20.27 8.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 64.11 109.31 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 41.0 p -80.73 -55.44 4.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 73.22 110.378 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.408 ' O ' HD13 ' A' ' 68' ' ' LEU . 14.2 mt -54.81 -20.02 7.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 75.52 109.264 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.2 mmt -65.13 -64.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 75.32 111.025 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.57 -30.88 71.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 74.21 110.315 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.423 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 13.1 t80 -62.26 -59.6 4.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 73.53 110.968 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.672 ' CD2' HD12 ' A' ' 94' ' ' LEU . 8.4 mp -58.46 -28.46 65.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 71.44 109.303 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -66.23 -39.33 89.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 72.12 110.302 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -166.48 80.79 1.03 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 62.35 109.294 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.423 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.97 -2.75 12.95 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.469 1.773 . . . . 74.42 111.035 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -17.19 56.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 72.43 109.32 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.35 -36.09 8.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 55.5 109.256 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -62.67 -44.31 96.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 73.43 111.011 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.668 HD13 ' OD1' ' A' ' 52' ' ' ASN . 6.7 mt -141.52 87.01 10.57 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 71.04 109.335 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 128.83 11.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 75.43 111.003 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.16 25.96 20.21 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.551 1.157 . . . . 61.2 111.006 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 80' ' ' MET . 8.2 t -86.44 161.7 18.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 74.51 110.406 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -93.92 30.5 1.83 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 61.34 109.298 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.404 ' H ' HG23 ' A' ' 78' ' ' THR . 2.8 ttp -114.35 76.56 1.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.183 . . . . 75.05 111.048 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 81' ' ' ILE . 2.2 tp -52.43 115.54 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 73.13 109.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -170.66 161.43 7.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 64.53 110.981 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.1 m -110.1 -32.3 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 72.2 109.317 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.39 160.72 11.25 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.507 1.129 . . . . 44.21 111.053 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.4 mt -98.43 143.98 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.74 . . . . 73.43 109.257 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.412 ' N ' ' CD ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -97.86 -46.0 6.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 72.24 109.283 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -60.41 140.99 56.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 71.11 109.25 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -89.45 -51.61 5.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.586 1.178 . . . . 73.43 109.27 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -53.31 -36.62 61.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 73.44 110.287 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -60.8 -29.47 69.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 64.24 110.29 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 79.1 mtm-85 -86.81 -31.14 21.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 42.25 110.275 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.68 -16.1 62.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 62.14 109.301 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -105.86 -43.07 4.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 75.33 109.299 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.672 HD12 ' CD2' ' A' ' 68' ' ' LEU . 2.0 tm? -58.64 -30.64 67.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 64.13 109.308 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.441 HG21 ' CG ' ' A' ' 61' ' ' GLU . 34.3 mt -85.95 -42.02 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 73.24 109.287 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.97 -20.93 6.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 61.14 109.327 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.805 ' CD1' HG23 ' A' ' 3' ' ' VAL . 0.2 OUTLIER -92.78 -60.5 1.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 74.52 110.96 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.784 HD21 HG11 ' A' ' 20' ' ' VAL . 12.3 mt -49.62 -29.09 6.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 61.35 109.274 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.562 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 11.7 pttp -72.23 -35.95 69.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 74.1 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 97' ' ' TYR . 45.7 tttm -86.54 -15.39 40.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 72.11 109.256 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.663 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -89.17 -16.0 32.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 75.14 109.323 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 98' ' ' LEU . 64.3 p -119.76 36.9 4.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 73.13 110.396 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -128.11 -46.54 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 70.44 109.328 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 74.3 110.279 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.483 ' O ' ' HB1' ' A' ' 96' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.971 -0.852 . . . . 52.2 110.971 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -42.72 154.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 63.42 109.348 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.609 HG23 ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -116.2 -52.82 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.589 1.181 . . . . 75.34 109.312 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -38.01 -56.87 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 73.12 110.251 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -46.93 -46.58 21.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 75.51 109.264 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -73.02 -23.85 77.04 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 72.04 111.035 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.563 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 16.0 tttm -71.3 -24.03 62.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 74.43 109.299 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -88.6 -39.84 13.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 60.43 109.306 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.862 HG23 ' HE2' ' A' ' 13' ' ' LYS . 38.3 mt -73.49 -29.4 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.591 1.182 . . . . 74.32 109.314 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.446 ' CZ ' ' CG1' ' A' ' 20' ' ' VAL . 12.2 t80 -68.04 -21.94 64.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.416 1.073 . . . . 72.24 110.981 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.596 HG23 ' HB2' ' A' ' 15' ' ' SER . 90.0 mt -85.71 -63.3 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 74.44 109.299 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -52.3 -20.1 2.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 65.42 110.972 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.862 ' HE2' HG23 ' A' ' 9' ' ' ILE . 30.7 mttm -107.04 -43.0 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 64.41 109.277 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -126.34 75.89 1.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 32.54 108.357 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.596 ' HB2' HG23 ' A' ' 11' ' ' ILE . 1.7 t -116.0 151.88 34.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 63.31 110.052 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 45.45 33.3 1.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 65.25 110.289 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.4 m -139.24 -59.28 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 75.41 108.29 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.615 ' ND1' HD11 ' A' ' 32' ' ' LEU . 75.4 m-70 -102.51 129.56 49.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.147 . . . . 64.33 109.554 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.498 ' O ' HG22 ' A' ' 20' ' ' VAL . 15.0 p -91.55 -29.6 16.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 63.55 110.412 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.894 HG12 HD13 ' A' ' 32' ' ' LEU . 35.9 m 46.43 29.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.41 1.069 . . . . 62.12 109.272 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 55.24 110.302 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.282 -0.636 . . . . 63.34 109.282 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -98.95 77.67 2.22 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.483 1.114 . . . . 74.52 109.622 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -64.96 -167.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 74.23 109.231 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 p -38.4 -34.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 61.25 110.399 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -115.53 155.79 16.07 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.519 1.137 . . . . 73.33 111.042 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.87 154.0 42.86 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.451 1.763 . . . . 64.11 111.057 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -75.53 161.36 29.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 54.23 109.279 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.894 HD13 HG12 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -132.68 103.0 5.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 74.54 109.332 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -114.12 -55.75 2.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 64.43 109.626 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.03 30.67 9.91 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.518 1.136 . . . . 75.21 110.991 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.764 ' HB3' HG21 ' A' ' 102' ' ' THR . 17.4 tp -42.0 -75.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.777 . . . . 70.13 109.318 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.61 ' CD2' ' NZ ' ' A' ' 99' ' ' LYS . 77.5 m-85 -64.53 114.22 4.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 61.41 110.959 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.62 29.06 7.58 Favored Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.512 1.133 . . . . 44.23 110.99 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -146.47 153.75 40.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 74.14 110.335 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -81.73 174.11 11.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 65.41 109.237 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 45.6 p -84.93 148.5 26.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 75.44 110.392 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.563 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 62.68 45.5 95.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.123 . . . . 62.5 110.986 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 43' ' ' ALA . 64.8 mm-40 -97.22 -35.14 10.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 0.786 . . . . 74.22 110.313 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.59 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -39.51 99.94 0.2 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 70.23 109.33 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.0 Cg_endo -75.08 -1.19 10.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 70.11 110.96 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.04 -24.11 12.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 63.41 111.058 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -154.6 112.13 3.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.559 0.799 . . . . 73.2 110.976 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.4 p -76.35 140.77 41.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 74.42 109.966 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.59 ' OH ' ' HB2' ' A' ' 43' ' ' ALA . 3.2 m-30 -91.36 -177.12 4.75 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.569 1.168 . . . . 74.5 111.007 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.565 HG23 ' HE2' ' A' ' 79' ' ' LYS . 5.7 p -53.73 174.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 65.43 110.376 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.29 -16.14 56.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 65.45 109.319 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.28 -58.94 2.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 73.13 109.318 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -57.82 -38.13 75.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 72.12 109.265 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -66.02 -31.84 72.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 75.03 109.332 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -90.61 16.06 9.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 64.31 109.2 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 57' ' ' ILE . 9.4 tptp -102.66 48.65 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 71.13 109.296 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.73 85.39 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.46 1.1 . . . . 74.1 111.031 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 55' ' ' LYS . 2.2 pp -150.39 138.1 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 74.01 109.294 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.485 ' O ' HG21 ' A' ' 63' ' ' THR . 6.9 mm -70.99 135.64 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 71.13 109.357 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -76.54 164.28 26.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 75.24 107.971 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.53 ' C ' HD12 ' A' ' 64' ' ' LEU . . . 170.31 175.72 39.32 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.466 1.104 . . . . 64.1 110.994 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.467 ' HG3' ' CE ' ' A' ' 99' ' ' LYS . 42.3 mt-10 -60.48 -31.67 70.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 0.791 . . . . 64.13 110.308 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -73.05 -64.45 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 64.11 109.207 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.485 HG21 ' O ' ' A' ' 58' ' ' ILE . 49.7 p -54.1 -29.33 44.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 73.22 110.372 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.53 HD12 ' C ' ' A' ' 60' ' ' GLY . 18.8 mt -75.49 -47.36 27.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.589 1.18 . . . . 75.52 109.271 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.9 mmt -45.1 -58.67 3.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 75.32 110.932 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 69' ' ' GLU . 0.5 OUTLIER -66.87 -59.62 3.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 74.21 110.275 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.438 ' CB ' ' O ' ' A' ' 63' ' ' THR . 55.9 t80 -41.05 -31.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 73.53 110.982 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.417 ' CD1' HD11 ' A' ' 95' ' ' ILE . 11.9 mt -79.73 -46.88 16.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.112 . . . . 71.44 109.283 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 66' ' ' GLU . 33.6 tt0 -49.6 -29.11 6.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 72.12 110.243 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -173.62 90.31 0.36 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 62.35 109.262 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 -4.9 16.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.496 1.788 . . . . 74.42 111.001 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -89.69 -18.58 26.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 72.43 109.318 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.453 ' CD ' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -98.71 -24.38 15.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 55.5 109.282 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -82.99 -32.27 27.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 73.43 110.979 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.422 HG22 ' HB ' ' A' ' 78' ' ' THR . 3.1 mt -139.4 88.85 12.46 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 71.04 109.343 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 122.61 7.32 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.5 1.789 . . . . 75.43 111.021 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.84 30.97 8.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.597 1.186 . . . . 61.2 111.011 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.422 ' HB ' HG22 ' A' ' 75' ' ' ILE . 8.8 t -98.78 166.14 11.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 0.794 . . . . 74.51 110.36 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.565 ' HE2' HG23 ' A' ' 49' ' ' THR . 16.6 mttm -82.34 -18.69 41.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.593 1.183 . . . . 61.34 109.334 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.413 ' HB2' HG23 ' A' ' 78' ' ' THR . 63.3 mmm -48.29 106.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 75.05 111.025 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.547 HG22 ' O ' ' A' ' 81' ' ' ILE . 17.5 mt -105.49 90.38 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 73.13 109.314 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.403 ' CZ ' ' O ' ' A' ' 83' ' ' VAL . 43.3 t80 -174.59 147.55 1.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 64.53 110.989 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.403 ' O ' ' CZ ' ' A' ' 82' ' ' PHE . 27.2 m -93.86 136.51 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 72.2 109.303 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -45.0 159.0 0.17 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 44.21 110.931 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.6 mt -87.64 156.29 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 0.752 . . . . 73.43 109.292 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -96.44 -48.18 5.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 72.24 109.295 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -67.6 146.16 54.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 71.11 109.245 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -89.81 -38.79 13.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 73.43 109.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 92' ' ' ALA . 32.1 tt0 -64.68 -47.23 79.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 73.44 110.291 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.458 ' CG ' HD13 ' A' ' 9' ' ' ILE . 13.1 tt0 -49.06 -27.31 3.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 64.24 110.331 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -85.18 -30.36 23.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 42.25 110.26 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 89' ' ' GLU . . . -67.35 -42.61 83.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 62.14 109.27 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -71.4 -54.54 10.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 75.33 109.312 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.4 ' CD1' ' HB2' ' A' ' 10' ' ' PHE . 48.0 tp -46.06 -44.77 15.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 64.13 109.289 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.417 HD11 ' CD1' ' A' ' 68' ' ' LEU . 73.6 mt -69.74 -51.69 38.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 73.24 109.256 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.483 ' HB1' ' O ' ' A' ' 1' ' ' GLY . . . -40.58 -43.28 1.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 61.14 109.308 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.717 ' CE1' ' HB2' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -69.4 -64.36 0.89 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.487 1.117 . . . . 74.52 111.058 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.564 ' O ' HG23 ' A' ' 102' ' ' THR . 12.1 mt -40.58 -29.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 61.35 109.246 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.61 ' NZ ' ' CD2' ' A' ' 36' ' ' PHE . 33.9 mttm -65.96 -54.34 27.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 74.1 109.331 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 97' ' ' TYR . 32.7 tttt -72.22 -15.32 61.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 72.11 109.294 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.717 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -73.98 -57.12 4.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 75.14 109.356 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.764 HG21 ' HB3' ' A' ' 35' ' ' LEU . 28.3 p -77.83 0.64 23.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 73.13 110.413 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -75.68 -31.07 59.59 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 70.44 109.255 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.401 1.063 . . . . 74.3 110.33 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.109 -0.797 . . . . 52.2 111.109 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.409 ' CB ' ' HE2' ' A' ' 5' ' ' LYS . 1.0 OUTLIER -56.86 165.21 1.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.759 . . . . 63.42 109.299 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.885 HG12 ' HA ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -117.26 -52.94 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 75.34 109.24 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -41.82 -50.02 4.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 73.12 110.215 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.409 ' HE2' ' CB ' ' A' ' 2' ' ' ASP . 1.1 mppt? -53.51 -41.65 66.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.587 1.18 . . . . 75.51 109.283 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -81.74 -16.87 71.87 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.594 1.184 . . . . 72.04 111.021 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.559 ' CD ' ' CZ ' ' A' ' 97' ' ' TYR . 10.5 tptm -76.05 -47.18 25.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 0.782 . . . . 74.43 109.231 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -65.13 -37.46 87.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 60.43 109.282 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.454 ' CG2' ' HD2' ' A' ' 13' ' ' LYS . 71.9 mt -66.14 -49.75 73.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 74.32 109.31 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.515 ' CD1' HD21 ' A' ' 98' ' ' LEU . 52.1 t80 -60.14 -39.76 87.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 72.24 111.006 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.432 ' CD1' ' HG3' ' A' ' 7' ' ' LYS . 75.5 mt -73.76 -10.48 13.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.581 1.176 . . . . 74.44 109.249 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.4 mtt -113.41 -4.61 13.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 65.42 110.933 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.454 ' HD2' ' CG2' ' A' ' 9' ' ' ILE . 36.5 mttm -123.7 -56.36 1.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 64.41 109.305 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -121.05 77.03 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 32.54 108.258 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.403 ' OG ' ' HA ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -124.26 6.85 8.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 63.31 109.98 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -116.82 -35.77 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 65.25 110.289 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.503 ' SG ' HG21 ' A' ' 28' ' ' THR . 89.0 m -95.74 -81.68 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 75.41 108.275 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.616 ' HB3' HD13 ' A' ' 32' ' ' LEU . 96.7 m-70 -64.66 143.08 58.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 64.33 109.608 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.703 ' O ' HG22 ' A' ' 20' ' ' VAL . 41.7 p -115.62 -33.57 5.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 63.55 110.457 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.911 HG11 ' CD2' ' A' ' 98' ' ' LEU . 6.4 m 49.51 28.27 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 62.12 109.348 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.073 . . . . 55.24 110.337 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.303 -0.629 . . . . 63.34 109.303 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -84.94 128.86 34.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 74.52 109.551 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.8 mtmm -131.31 -97.05 0.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 74.23 109.334 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.503 HG21 ' SG ' ' A' ' 17' ' ' CYS . 5.7 m -69.97 -33.43 72.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 61.25 110.419 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.01 -170.57 12.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.419 1.074 . . . . 73.33 111.029 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 150.04 37.76 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.55 1.816 . . . . 64.11 111.078 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 33' ' ' HIS . 4.6 t30 -79.6 118.3 21.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 54.23 109.243 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.893 HD22 HD22 ' A' ' 98' ' ' LEU . 2.4 mp -65.83 75.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 74.54 109.278 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' ASN . 79.1 t60 -110.03 -68.21 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 64.43 109.577 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.09 25.47 27.7 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.535 1.147 . . . . 75.21 110.981 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.659 ' HB3' HG21 ' A' ' 102' ' ' THR . 7.5 tp -40.48 -75.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 0.743 . . . . 70.13 109.28 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.591 ' CD1' ' HA ' ' A' ' 99' ' ' LYS . 14.0 m-85 -64.71 156.7 29.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.45 1.094 . . . . 61.41 110.973 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.04 0.72 66.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.483 1.114 . . . . 44.23 110.957 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.9 ttm-85 -123.79 162.31 23.46 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 0.784 . . . . 74.14 110.292 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.475 ' CD ' HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -84.44 178.59 7.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 65.41 109.292 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.1 p -84.45 117.05 23.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 75.44 110.415 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.539 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 81.56 54.72 3.4 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.119 . . . . 62.5 110.946 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 43' ' ' ALA . 78.9 mm-40 -109.17 -32.21 7.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 74.22 110.355 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.509 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -39.63 99.97 0.21 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 70.23 109.276 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.401 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.0 Cg_endo -75.02 -1.04 10.71 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.506 1.793 . . . . 70.11 110.994 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.84 -40.35 3.6 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 63.41 111.009 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.582 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 11.9 t80 -129.5 85.27 2.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 0.764 . . . . 73.2 110.995 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.5 m -60.87 123.11 16.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 74.42 110.06 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 46' ' ' TYR . 2.2 m-30 -79.76 -174.65 4.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 74.5 110.976 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.4 p -67.73 -175.48 0.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 65.43 110.405 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.77 13.63 17.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 65.45 109.297 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.54 -56.52 2.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 73.13 109.272 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.495 ' OD1' ' CD1' ' A' ' 75' ' ' ILE . 1.0 OUTLIER -79.77 -29.67 40.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 72.12 109.339 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -68.89 -16.47 63.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 75.03 109.391 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -75.23 -43.49 51.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 64.31 109.301 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -49.95 158.62 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 71.13 109.29 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.63 14.47 2.45 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 74.1 110.986 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.504 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.0 pp -92.86 164.87 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.743 . . . . 74.01 109.319 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.475 HD11 ' CD ' ' A' ' 39' ' ' LYS . 3.1 mm -91.0 144.46 9.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 71.13 109.327 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.411 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 7.3 m95 -79.55 116.75 19.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.605 1.19 . . . . 75.24 108.004 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.516 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -132.02 -175.88 14.18 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.598 1.187 . . . . 64.1 110.928 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -72.66 -26.15 61.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 0.775 . . . . 64.13 110.253 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -71.94 -69.16 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 64.11 109.229 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.459 HG21 HD13 ' A' ' 57' ' ' ILE . 66.4 p -45.35 -43.3 10.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 73.22 110.329 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.516 HD12 ' O ' ' A' ' 60' ' ' GLY . 42.7 mt -65.09 -55.1 20.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 75.52 109.271 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 31.9 tpp -46.88 -28.12 1.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 75.32 111.02 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -95.51 -23.72 16.97 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 74.21 110.289 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.601 ' CE1' ' CB ' ' A' ' 71' ' ' PRO . 18.0 t80 -73.33 -56.08 5.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 73.53 110.974 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -46.82 -40.55 13.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 71.44 109.35 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -53.78 -46.41 71.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 72.12 110.331 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -161.07 79.47 2.23 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 62.35 109.259 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.601 ' CB ' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.97 0.27 9.09 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.551 1.816 . . . . 74.42 111.054 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -86.14 -20.43 28.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 72.43 109.273 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.2 pttp -95.36 -42.99 8.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 55.5 109.296 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -49.78 -42.79 47.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 73.43 111.041 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.495 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 8.6 mt -137.13 89.68 16.32 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.633 1.208 . . . . 71.04 109.264 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.04 3.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.522 1.801 . . . . 75.43 110.969 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.58 7.87 13.15 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 61.2 111.02 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.4 t -75.88 164.73 25.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 0.805 . . . . 74.51 110.426 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -88.05 -15.77 35.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 61.34 109.302 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.414 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 1.3 tpt -43.67 140.38 1.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 75.05 111.001 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.414 ' N ' ' HG3' ' A' ' 80' ' ' MET . 12.3 mm -125.09 107.22 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 73.13 109.367 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -170.84 176.06 4.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 64.53 110.955 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.538 HG23 ' N ' ' A' ' 84' ' ' GLY . 23.7 m -116.27 -53.49 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.447 1.092 . . . . 72.2 109.322 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.538 ' N ' HG23 ' A' ' 83' ' ' VAL . . . 136.32 155.22 7.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.11 . . . . 44.21 110.993 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.425 ' O ' ' NH1' ' A' ' 91' ' ' ARG . 18.5 mt -98.55 151.69 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 73.43 109.327 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -92.36 -68.12 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 72.24 109.267 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.441 ' O ' ' NH1' ' A' ' 91' ' ' ARG . 34.4 mtpt -45.85 150.12 0.57 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 71.11 109.302 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -87.69 -56.23 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 73.43 109.275 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -56.83 -36.38 69.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 73.44 110.346 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.448 ' HG2' HD13 ' A' ' 9' ' ' ILE . 18.0 tt0 -55.24 -18.61 6.39 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.522 1.139 . . . . 64.24 110.365 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.464 ' O ' ' CG1' ' A' ' 95' ' ' ILE . 77.0 mtm-85 -98.75 -31.23 11.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 42.25 110.252 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -67.76 -17.94 64.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 62.14 109.288 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -91.05 -53.84 4.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 75.33 109.271 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 10' ' ' PHE . 19.0 tp -61.2 -30.5 70.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 64.13 109.379 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.464 ' CG1' ' O ' ' A' ' 91' ' ' ARG . 61.7 mt -83.43 -13.59 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 73.24 109.317 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -86.63 -37.85 17.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 61.14 109.282 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.885 ' HA ' HG12 ' A' ' 3' ' ' VAL . 0.6 OUTLIER -81.41 -35.15 31.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 74.52 110.988 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.911 ' CD2' HG11 ' A' ' 20' ' ' VAL . 20.4 mt -72.42 -33.97 67.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.415 1.072 . . . . 61.35 109.316 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.591 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 14.0 pttp -76.17 -32.95 59.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 74.1 109.216 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.8 ttpp -86.63 -23.39 25.7 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.476 1.11 . . . . 72.11 109.234 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.564 ' HB2' ' O ' ' A' ' 97' ' ' TYR . . . -69.89 -28.26 65.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 75.14 109.278 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.659 HG21 ' HB3' ' A' ' 35' ' ' LEU . 35.2 p -104.24 13.66 31.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 73.13 110.362 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -104.84 -47.28 4.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 70.44 109.262 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 74.3 110.3 -179.954 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.012 -0.835 . . . . 52.2 111.012 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -75.5 -179.41 4.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 0.73 . . . . 63.42 109.276 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.709 HG23 ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -110.34 -50.78 6.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.541 1.151 . . . . 75.34 109.214 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -47.56 -37.71 12.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 73.12 110.322 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.668 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.2 mptm? -64.74 -34.79 79.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 75.51 109.326 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -91.38 -11.32 61.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.456 1.098 . . . . 72.04 110.958 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.576 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 18.1 tttt -76.29 -22.09 55.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.413 0.714 . . . . 74.43 109.24 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -93.74 -22.3 18.8 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.554 1.158 . . . . 60.43 109.348 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.668 HD12 ' O ' ' A' ' 5' ' ' LYS . 13.9 mt -91.12 -16.78 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 74.32 109.298 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.69 ' CE1' HD21 ' A' ' 98' ' ' LEU . 19.7 t80 -84.6 -27.68 27.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 72.24 111.063 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 15' ' ' SER . 46.8 mt -83.93 -68.63 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 74.44 109.334 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' ILE . 40.7 mmm -37.81 -30.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 65.42 110.973 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.532 ' HZ3' HG12 ' A' ' 85' ' ' ILE . 10.2 mtpp -101.93 -61.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 64.41 109.292 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -100.03 66.76 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 32.54 108.259 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.5 t -105.6 144.69 32.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 63.31 109.969 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 15' ' ' SER . 82.8 mt-30 38.96 34.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 65.25 110.286 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.0 m -133.46 -69.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 75.41 108.305 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -98.33 112.03 24.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 64.33 109.597 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 p -87.58 162.84 16.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.419 1.075 . . . . 63.55 110.434 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.501 ' CG1' ' CZ ' ' A' ' 10' ' ' PHE . 1.5 m -136.16 15.83 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 62.12 109.27 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 55.24 110.296 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.4 pttt . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.292 -0.633 . . . . 63.34 109.292 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.45 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 80.7 m-70 -72.72 121.37 19.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 74.52 109.563 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -100.93 -100.02 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 74.23 109.308 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.0 m -85.89 -14.45 44.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 61.25 110.415 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -159.53 -167.83 20.71 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.465 1.103 . . . . 73.33 110.934 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 148.72 35.85 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 64.11 111.02 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -84.04 129.32 34.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 54.23 109.303 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.759 ' O ' HG22 ' A' ' 102' ' ' THR . 0.5 OUTLIER -89.03 81.73 6.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.403 1.064 . . . . 74.54 109.303 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -105.45 -53.9 2.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 64.43 109.613 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' LEU . . . -102.03 32.44 7.53 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.55 1.156 . . . . 75.21 110.966 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.447 HD13 ' HG ' ' A' ' 32' ' ' LEU . 49.3 tp -40.46 -75.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.754 . . . . 70.13 109.345 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -60.29 109.53 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 61.41 110.985 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.23 38.3 4.08 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.459 1.1 . . . . 44.23 110.953 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.9 ttm-85 -146.88 134.32 20.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 74.14 110.276 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.462 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 14.2 mtmt -74.2 167.65 21.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 65.41 109.244 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.654 HG22 ' NE1' ' A' ' 59' ' ' TRP . 11.9 p -79.95 126.28 30.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.519 1.137 . . . . 75.44 110.353 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.462 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 78.75 39.94 19.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.478 1.111 . . . . 62.5 111.003 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 43' ' ' ALA . 46.9 mm-40 -104.24 -21.11 13.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 74.22 110.238 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.637 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -39.5 99.84 0.2 Allowed Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 70.23 109.3 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -74.94 58.2 4.77 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.52 1.8 . . . . 70.11 110.996 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.17 -40.32 0.03 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.52 1.138 . . . . 63.41 110.971 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.45 ' HB2' ' CD2' ' A' ' 26' ' ' HIS . 6.7 t80 -129.48 121.61 27.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.783 . . . . 73.2 111.0 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.8 m -88.28 140.29 29.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 74.42 109.994 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.637 ' OH ' ' HB2' ' A' ' 43' ' ' ALA . 2.6 m-30 -95.85 -171.62 2.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.08 . . . . 74.5 111.015 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.709 HG23 ' HE2' ' A' ' 79' ' ' LYS . 18.7 p -62.28 170.1 2.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 65.43 110.378 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.77 -15.14 59.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.605 1.191 . . . . 65.45 109.32 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.415 ' HA ' ' ND2' ' A' ' 54' ' ' ASN . . . -92.14 -15.8 27.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 73.13 109.318 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -100.4 -30.3 11.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 72.12 109.284 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -64.9 -63.06 1.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 1.101 . . . . 75.03 109.348 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.415 ' ND2' ' HA ' ' A' ' 51' ' ' ALA . 10.5 p30 -41.08 -31.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 64.31 109.327 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.419 ' HG2' HG21 ' A' ' 40' ' ' THR . 0.8 OUTLIER -40.63 116.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 71.13 109.295 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -120.45 75.57 0.32 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 74.1 110.993 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.415 ' CD1' ' OH ' ' A' ' 74' ' ' TYR . 4.5 pt -144.13 -179.73 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.408 0.711 . . . . 74.01 109.413 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.462 ' CD1' ' HG3' ' A' ' 39' ' ' LYS . 3.8 mm -127.74 118.25 48.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 71.13 109.254 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.654 ' NE1' HG22 ' A' ' 40' ' ' THR . 71.6 m95 -61.47 151.9 31.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 75.24 108.068 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.854 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -168.54 -152.74 7.84 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.51 1.132 . . . . 64.1 110.925 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.482 ' O ' ' CG ' ' A' ' 65' ' ' MET . 1.8 tt0 -86.9 -24.64 24.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 0.747 . . . . 64.13 110.278 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -91.49 -59.17 2.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 64.11 109.33 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.457 HG21 ' O ' ' A' ' 58' ' ' ILE . 63.7 p -47.66 -29.56 3.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 73.22 110.356 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.854 HD12 ' O ' ' A' ' 60' ' ' GLY . 59.8 mt -84.86 -37.11 21.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.107 . . . . 75.52 109.318 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.482 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 2.7 mmt -56.52 -16.67 6.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 75.32 111.009 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -104.99 -62.46 1.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 74.21 110.302 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 71' ' ' PRO . 33.4 t80 -39.12 -60.25 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 73.53 111.049 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.631 HD22 HH12 ' A' ' 91' ' ' ARG . 1.6 mp -60.03 -40.23 88.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 71.44 109.322 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -59.52 -29.33 67.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 72.12 110.317 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 179.54 88.93 0.18 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 62.35 109.276 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.99 -17.35 19.65 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.53 1.805 . . . . 74.42 110.98 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -63.45 -18.45 63.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 72.43 109.335 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -108.88 6.0 24.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 55.5 109.349 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.415 ' OH ' ' CD1' ' A' ' 57' ' ' ILE . 1.7 t80 -110.04 -63.03 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 73.43 110.994 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.7 mt -126.61 83.67 64.35 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 71.04 109.353 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 119.06 5.49 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.519 1.8 . . . . 75.43 110.932 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.63 -17.67 12.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 61.2 111.02 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.9 t -45.19 158.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 0.74 . . . . 74.51 110.399 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.709 ' HE2' HG23 ' A' ' 49' ' ' THR . 0.9 OUTLIER -107.74 39.11 2.0 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 61.34 109.263 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.0 ttt -110.21 102.87 11.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 75.05 110.956 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.9 mm -62.01 118.77 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 73.13 109.322 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.41 ' HZ ' ' HZ1' ' A' ' 13' ' ' LYS . 8.4 t80 -172.32 178.32 2.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 64.53 111.019 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.501 HG23 ' N ' ' A' ' 84' ' ' GLY . 34.0 m -130.24 -51.5 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 72.2 109.397 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.501 ' N ' HG23 ' A' ' 83' ' ' VAL . . . 136.04 174.81 13.51 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.474 1.109 . . . . 44.21 110.978 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.532 HG12 ' HZ3' ' A' ' 13' ' ' LYS . 6.1 mt -124.56 96.71 3.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.552 0.795 . . . . 73.43 109.246 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -67.59 -23.78 65.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 72.24 109.264 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.25 110.24 13.09 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.128 . . . . 71.11 109.301 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -67.06 -34.85 78.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.591 1.182 . . . . 73.43 109.215 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -58.38 -60.69 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 73.44 110.335 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -60.7 -21.96 63.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.176 . . . . 64.24 110.288 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 1.043 ' NH2' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -79.21 -33.34 43.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 42.25 110.268 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -87.36 -8.23 56.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 62.14 109.258 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.499 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 37.3 m-20 -95.8 -45.03 7.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 75.33 109.313 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.53 HD22 ' CD1' ' A' ' 98' ' ' LEU . 2.3 tt -54.69 -42.34 71.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 64.13 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 1.043 HD11 ' NH2' ' A' ' 91' ' ' ARG . 58.0 mt -61.41 -42.06 92.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 73.24 109.309 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -48.05 -50.53 27.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 61.14 109.297 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.709 ' CD1' HG23 ' A' ' 3' ' ' VAL . 1.9 t80 -70.92 -60.14 2.4 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.544 1.152 . . . . 74.52 111.018 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.704 ' O ' HG23 ' A' ' 102' ' ' THR . 15.4 mt -40.48 -35.26 0.43 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 61.35 109.257 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -62.68 -53.41 54.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 74.1 109.289 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 97' ' ' TYR . 8.3 ttmm -71.76 -14.59 62.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 72.11 109.236 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.554 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -86.15 -31.83 21.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 75.14 109.285 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.759 HG22 ' O ' ' A' ' 32' ' ' LEU . 24.6 p -113.07 29.37 8.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 73.13 110.41 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -116.61 -42.72 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 70.44 109.333 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 74.3 110.312 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.004 -0.838 . . . . 52.2 111.004 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -68.36 134.47 50.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.521 0.777 . . . . 63.42 109.259 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.0 OUTLIER -79.11 -38.85 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 75.34 109.298 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -51.46 -49.31 61.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 73.12 110.294 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.667 ' O ' HD12 ' A' ' 9' ' ' ILE . 31.4 mmtm -55.22 -23.93 24.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 75.51 109.328 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.403 ' O ' ' CB ' ' A' ' 10' ' ' PHE . . . -100.1 -17.68 24.3 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.486 1.116 . . . . 72.04 111.029 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.533 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 13.5 tptm -64.72 -54.93 23.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 0.786 . . . . 74.43 109.329 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.406 ' HA ' HD12 ' A' ' 11' ' ' ILE . 50.7 mmtt -59.1 -56.35 23.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 60.43 109.304 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.667 HD12 ' O ' ' A' ' 5' ' ' LYS . 59.7 mt -50.64 -44.25 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 74.32 109.335 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.811 ' CD1' HD21 ' A' ' 98' ' ' LEU . 18.6 t80 -63.45 -24.47 67.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 72.24 110.969 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.468 HG23 ' HB2' ' A' ' 15' ' ' SER . 34.8 mt -83.65 -67.24 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 74.44 109.324 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.3 ttp -45.27 -25.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 65.42 110.99 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.548 ' CD ' HG23 ' A' ' 9' ' ' ILE . 4.8 mtpm? -103.4 -36.79 7.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.405 1.066 . . . . 64.41 109.319 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -132.72 81.68 1.96 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 32.54 108.364 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.468 ' HB2' HG23 ' A' ' 11' ' ' ILE . 6.0 t -113.49 133.28 55.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 63.31 109.95 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.426 ' CG ' ' O ' ' A' ' 15' ' ' SER . 16.4 pt20 43.27 31.76 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 65.25 110.308 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.19 -47.23 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 75.41 108.281 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -109.29 136.9 47.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 64.33 109.601 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.3 p -109.0 147.5 32.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 63.55 110.335 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.2 m -133.18 13.97 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 62.12 109.25 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 55.24 110.262 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.318 -0.623 . . . . 63.34 109.318 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -99.37 134.68 41.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 74.52 109.592 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -126.83 -100.34 0.37 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 74.23 109.289 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.04 -22.18 23.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 61.25 110.423 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.9 157.47 25.35 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.483 1.114 . . . . 73.33 110.982 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 145.85 32.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.425 1.75 . . . . 64.11 111.021 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 33' ' ' HIS . 40.6 t-20 -72.79 124.82 26.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.403 1.064 . . . . 54.23 109.234 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.488 ' O ' ' CG2' ' A' ' 102' ' ' THR . 7.3 mp -95.97 43.15 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 74.54 109.331 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.449 ' N ' ' OD1' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -69.98 -39.11 76.14 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.469 1.106 . . . . 64.43 109.62 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.499 ' HA3' HH21 ' A' ' 38' ' ' ARG . . . -102.21 24.67 30.34 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.538 1.149 . . . . 75.21 110.979 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.569 HD21 HD11 ' A' ' 64' ' ' LEU . 47.6 tp -40.54 -67.74 0.22 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.474 0.749 . . . . 70.13 109.299 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.56 ' CE2' ' HD2' ' A' ' 99' ' ' LYS . 43.6 m-85 -74.86 97.52 3.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 61.41 111.001 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.83 30.65 2.29 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.561 1.163 . . . . 44.23 110.978 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.499 HH21 ' HA3' ' A' ' 34' ' ' GLY . 53.4 ttm-85 -146.78 123.12 10.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 0.733 . . . . 74.14 110.266 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.664 ' HA ' HD13 ' A' ' 58' ' ' ILE . 7.4 tttt -64.33 170.99 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 65.41 109.315 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 57' ' ' ILE . 2.3 p -75.71 134.29 40.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 75.44 110.43 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.528 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 67.24 59.66 6.66 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 62.5 110.949 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 44' ' ' PRO . 18.2 mm100 -113.69 -38.49 4.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 0.776 . . . . 74.22 110.329 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.446 ' CB ' ' OH ' ' A' ' 48' ' ' TYR . . . -39.56 99.94 0.2 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 70.23 109.263 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.411 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -75.02 -0.56 10.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.797 . . . . 70.11 110.978 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.68 -8.04 49.73 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.509 1.13 . . . . 63.41 111.018 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -166.05 120.77 1.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.748 . . . . 73.2 111.011 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.1 m -92.07 146.43 23.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 74.42 110.04 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.623 ' CD1' ' N ' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -102.2 -175.17 2.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 74.5 110.997 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.702 HG23 ' HE2' ' A' ' 79' ' ' LYS . 3.1 p -67.96 152.72 45.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 65.43 110.465 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.537 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -56.76 -24.13 47.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.158 . . . . 65.45 109.31 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.92 -51.6 66.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 73.13 109.321 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 55' ' ' LYS . 15.1 t-20 -74.77 -56.93 4.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 72.12 109.329 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.7 tttm -40.77 -57.22 1.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 75.03 109.228 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.537 ' ND2' ' O ' ' A' ' 50' ' ' ALA . 20.4 m-20 -41.86 -43.0 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 64.31 109.301 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' ASN . 9.0 tptt -47.2 145.57 2.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 71.13 109.289 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.63 75.31 0.32 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.559 1.162 . . . . 74.1 110.917 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.473 ' O ' HG23 ' A' ' 40' ' ' THR . 2.7 pp -151.53 159.02 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.545 0.791 . . . . 74.01 109.319 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.664 HD13 ' HA ' ' A' ' 39' ' ' LYS . 7.1 mm -96.22 146.43 7.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 71.13 109.31 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -84.98 166.44 16.74 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.017 -1.105 . . . . 75.24 108.017 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.787 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -176.87 -154.97 12.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.519 1.137 . . . . 64.1 111.013 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -89.26 -23.77 22.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.465 0.744 . . . . 64.13 110.296 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -88.71 -60.03 2.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 64.11 109.338 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.4 p -48.0 -25.37 1.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 73.22 110.38 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.787 HD12 ' O ' ' A' ' 60' ' ' GLY . 36.9 mt -86.7 -39.06 16.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 75.52 109.308 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.8 mmt -56.13 -19.05 11.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 75.32 110.936 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -102.43 -34.3 9.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 74.21 110.292 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.619 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 13.7 t80 -69.79 -61.05 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 73.53 111.015 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mt -42.33 -41.54 2.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 71.44 109.353 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -54.89 -46.02 74.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 72.12 110.313 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 67' ' ' TYR . 1.1 p30 -156.31 76.19 4.58 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.606 1.191 . . . . 62.35 109.271 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.619 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.03 -4.44 15.4 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.565 1.824 . . . . 74.42 111.025 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.24 -21.65 23.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 72.43 109.261 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 74' ' ' TYR . 0.1 OUTLIER -92.84 -32.62 14.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 55.5 109.279 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.408 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 1.2 t80 -62.4 -43.54 98.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 73.43 110.926 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.7 mt -139.13 90.17 12.06 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.152 . . . . 71.04 109.254 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 138.07 22.47 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.51 1.795 . . . . 75.43 111.048 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.76 11.29 71.1 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 61.2 111.015 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.9 t -70.98 169.47 14.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 74.51 110.391 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.702 ' HE2' HG23 ' A' ' 49' ' ' THR . 24.5 mttm -75.82 -28.9 58.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 61.34 109.311 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.2 tpp -43.06 133.23 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 75.05 110.976 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 27.2 mt -106.27 -28.44 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 73.13 109.348 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.558 ' CZ ' ' O ' ' A' ' 83' ' ' VAL . 51.3 t80 -59.53 166.92 2.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 64.53 111.052 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.558 ' O ' ' CZ ' ' A' ' 82' ' ' PHE . 26.1 m -120.15 139.55 47.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.573 1.171 . . . . 72.2 109.343 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -39.03 155.72 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.435 1.084 . . . . 44.21 110.997 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.508 HG22 ' N ' ' A' ' 86' ' ' LYS . 77.3 mt -82.41 165.83 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 73.43 109.286 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.508 ' N ' HG22 ' A' ' 85' ' ' ILE . 9.2 ptmt -109.17 -37.91 5.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 72.24 109.346 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -93.65 144.75 25.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 71.11 109.26 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.1 ptmm? -89.97 -38.34 13.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 73.43 109.346 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -57.35 -24.24 53.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 73.44 110.256 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -84.09 -23.16 30.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 64.24 110.304 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -73.28 -37.2 66.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 42.25 110.284 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 96' ' ' ALA . . . -70.33 -50.54 38.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.447 1.092 . . . . 62.14 109.342 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.514 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 7.0 m-20 -55.42 -49.58 72.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 75.33 109.376 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.551 HD12 HG22 ' A' ' 9' ' ' ILE . 2.1 tt -62.4 -42.65 99.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.393 1.058 . . . . 64.13 109.278 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 57.7 mt -71.39 -15.35 18.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.548 1.155 . . . . 73.24 109.339 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -76.88 -27.88 55.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 61.14 109.303 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.551 ' CE1' ' HB2' ' A' ' 101' ' ' ALA . 3.6 t80 -96.84 -31.1 12.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.068 . . . . 74.52 111.007 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.811 HD21 ' CD1' ' A' ' 10' ' ' PHE . 16.0 mt -68.07 -11.84 59.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 61.35 109.307 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.56 ' HD2' ' CE2' ' A' ' 36' ' ' PHE . 3.6 tptm -98.31 -55.44 2.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 74.1 109.246 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.32 -37.59 72.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 72.11 109.278 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.551 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -69.44 -44.18 71.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 75.14 109.299 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 32' ' ' LEU . 10.9 p -98.22 41.74 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 73.13 110.443 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -126.83 -52.97 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 70.44 109.293 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 74.3 110.284 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.023 -0.831 . . . . 52.2 111.023 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -73.85 -179.65 3.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 63.42 109.264 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.781 HG23 ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -115.82 -52.45 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 75.34 109.291 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -47.47 -35.22 8.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 73.12 110.293 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.472 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -66.8 -35.93 81.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 75.51 109.265 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -90.88 -11.49 61.65 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.546 1.154 . . . . 72.04 111.057 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.569 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 25.7 tttt -72.27 -21.67 61.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 74.43 109.26 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -86.33 -43.68 12.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.564 1.165 . . . . 60.43 109.294 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.619 HD12 ' OD2' ' A' ' 93' ' ' ASP . 8.8 mt -67.94 -13.88 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 74.32 109.302 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.458 ' CD1' HD21 ' A' ' 98' ' ' LEU . 10.0 t80 -86.84 -25.13 24.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 72.24 110.976 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 13' ' ' LYS . 96.1 mt -82.79 -70.72 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 74.44 109.319 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.2 mmm -38.47 -30.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 65.42 110.975 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 11' ' ' ILE . 29.0 mttt -102.16 -65.69 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 64.41 109.284 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -94.82 61.47 2.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 32.54 108.327 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.1 p -67.77 -83.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 63.31 109.95 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -115.85 54.3 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 65.25 110.361 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.498 ' SG ' HG21 ' A' ' 28' ' ' THR . 1.2 m -127.36 -55.17 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 75.41 108.259 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.629 ' ND1' HD11 ' A' ' 32' ' ' LEU . 31.3 m-70 -104.54 158.36 16.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 64.33 109.608 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.9 p -130.65 163.61 26.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 63.55 110.34 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.487 HG23 ' N ' ' A' ' 21' ' ' GLU . 26.8 m -134.23 -52.58 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 62.12 109.28 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.487 ' N ' HG23 ' A' ' 20' ' ' VAL . 9.4 pt-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 55.24 110.326 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.475 ' CD ' ' O ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.286 -0.635 . . . . 63.34 109.286 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 6.7 m-70 -90.46 128.13 36.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 74.52 109.572 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.1 -77.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 74.23 109.312 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.498 HG21 ' SG ' ' A' ' 17' ' ' CYS . 5.9 m -101.29 -21.34 14.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 61.25 110.421 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -153.05 -168.68 17.29 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.422 1.076 . . . . 73.33 110.987 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.545 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -74.93 140.12 25.27 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.489 1.784 . . . . 64.11 110.981 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 32' ' ' LEU . 4.6 t-20 -73.6 149.57 41.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 54.23 109.336 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.923 ' O ' HG22 ' A' ' 102' ' ' THR . 2.8 mp -106.2 88.77 2.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.452 1.095 . . . . 74.54 109.364 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.502 ' CD2' ' O ' ' A' ' 104' ' ' GLU . 24.5 t-80 -113.59 -54.84 2.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.47 1.106 . . . . 64.43 109.645 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.659 ' HA3' HH21 ' A' ' 38' ' ' ARG . . . -102.12 24.75 30.14 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.411 1.069 . . . . 75.21 110.964 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.839 HD21 HD11 ' A' ' 64' ' ' LEU . 56.7 tp -40.52 -76.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 70.13 109.295 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.558 ' CD2' ' NZ ' ' A' ' 99' ' ' LYS . 52.1 m-85 -58.62 102.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 61.41 111.071 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.2 27.94 4.86 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 44.23 111.037 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.659 HH21 ' HA3' ' A' ' 34' ' ' GLY . 43.3 ttm-85 -146.87 149.55 33.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 0.738 . . . . 74.14 110.29 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.447 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 16.0 mtmt -88.11 -174.91 4.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 65.41 109.292 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 40.4 p -83.18 173.52 11.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 75.44 110.373 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.528 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 39.02 51.84 2.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.448 1.093 . . . . 62.5 110.987 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.43 ' CB ' ' HD3' ' A' ' 38' ' ' ARG . 90.9 mm-40 -104.59 -46.91 4.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 0.776 . . . . 74.22 110.319 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.606 ' HB3' ' OH ' ' A' ' 48' ' ' TYR . . . -39.76 100.04 0.21 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.147 . . . . 70.23 109.306 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.1 Cg_endo -74.99 0.23 9.16 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.602 1.843 . . . . 70.11 110.999 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.75 -14.12 38.27 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.456 1.098 . . . . 63.41 110.957 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.558 ' HB2' ' CD2' ' A' ' 26' ' ' HIS . 18.5 t80 -150.26 146.01 26.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.605 0.827 . . . . 73.2 110.997 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.6 m -113.18 139.54 48.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 74.42 109.981 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.606 ' OH ' ' HB3' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -100.81 -171.92 2.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 74.5 110.986 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.488 HG23 ' CD ' ' A' ' 79' ' ' LYS . 2.3 p -63.65 177.1 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 65.43 110.404 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.67 -14.45 48.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 65.45 109.263 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.28 -31.08 20.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 73.13 109.333 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -74.94 -59.17 2.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.125 . . . . 72.12 109.322 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' ASN . 4.8 tttm -49.95 -52.71 31.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.573 1.171 . . . . 75.03 109.324 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' LYS . 3.3 m-20 -40.59 -36.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 64.31 109.294 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -62.52 143.25 57.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 71.13 109.349 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.5 72.7 0.41 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.424 1.078 . . . . 74.1 111.01 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.538 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.1 pp -135.51 154.31 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.416 0.715 . . . . 74.01 109.293 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.447 ' CD1' ' HG3' ' A' ' 39' ' ' LYS . 3.4 mm -87.92 131.47 35.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 71.13 109.302 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -71.75 138.25 48.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.976 -1.12 . . . . 75.24 107.976 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.598 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -151.87 -151.67 5.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.538 1.149 . . . . 64.1 111.003 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 65' ' ' MET . 27.6 mt-10 -89.3 -39.61 13.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 0.726 . . . . 64.13 110.337 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -75.29 -51.15 13.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 64.11 109.275 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 p -57.23 -30.23 64.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 73.22 110.444 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.839 HD11 HD21 ' A' ' 35' ' ' LEU . 84.0 mt -89.06 -33.25 17.2 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.119 . . . . 75.52 109.285 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.474 ' CB ' ' O ' ' A' ' 61' ' ' GLU . 8.2 ttm -72.86 -15.36 61.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 75.32 111.019 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -107.94 -23.82 11.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 74.21 110.256 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 4.2 t80 -84.11 -42.19 16.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 73.53 111.016 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 68' ' ' LEU . 16.4 mt -59.41 -46.78 87.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 71.44 109.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 91' ' ' ARG . 14.4 tt0 -42.21 -30.37 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 72.12 110.266 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -173.18 92.61 0.37 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 62.35 109.24 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.566 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.96 -0.07 9.51 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.45 1.763 . . . . 74.42 111.006 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -93.27 -16.99 24.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.077 . . . . 72.43 109.309 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -93.68 -57.52 2.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 55.5 109.312 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -52.05 -26.54 11.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 73.43 110.975 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.6 mt -148.21 90.35 5.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 71.04 109.349 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 121.13 6.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.537 1.809 . . . . 75.43 111.011 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.87 -3.51 33.92 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.474 1.109 . . . . 61.2 110.966 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 t -49.03 177.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 0.746 . . . . 74.51 110.407 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.488 ' CD ' HG23 ' A' ' 49' ' ' THR . 0.0 OUTLIER -126.91 24.26 6.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.632 1.207 . . . . 61.34 109.324 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.9 ttt -99.18 112.14 24.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 75.05 110.964 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.0 mt -70.47 114.72 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 73.13 109.266 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -153.22 163.01 40.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 64.53 110.993 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.47 HG23 ' N ' ' A' ' 84' ' ' GLY . 16.0 m -114.01 -49.52 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 72.2 109.308 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.47 ' N ' HG23 ' A' ' 83' ' ' VAL . . . 137.77 169.01 11.5 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.468 1.105 . . . . 44.21 111.012 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.818 HG22 ' HB2' ' A' ' 87' ' ' LYS . 9.1 mt -129.78 -50.61 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 73.43 109.326 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? 55.62 20.83 4.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 72.24 109.29 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.818 ' HB2' HG22 ' A' ' 85' ' ' ILE . 1.6 mmmp? -110.28 153.57 24.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 71.11 109.264 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -90.38 -64.68 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 73.43 109.265 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 93' ' ' ASP . 2.4 mp0 -57.1 -53.39 58.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 73.44 110.281 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.56 ' HG3' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -48.54 -24.22 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 64.24 110.317 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.456 ' CZ ' ' HB2' ' A' ' 69' ' ' GLU . 39.3 mtm-85 -100.34 -23.76 14.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 42.25 110.301 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 89' ' ' GLU . . . -89.67 -4.06 57.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 62.14 109.255 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.619 ' OD2' HD12 ' A' ' 9' ' ' ILE . 1.2 p-10 -106.53 -26.93 11.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 75.33 109.246 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.443 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 2.6 tm? -78.15 -42.65 31.06 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.563 1.164 . . . . 64.13 109.345 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 65.9 mt -66.6 -38.71 82.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 73.24 109.311 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.77 -55.2 32.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 61.14 109.257 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.781 ' CD1' HG23 ' A' ' 3' ' ' VAL . 0.7 OUTLIER -61.33 -60.45 3.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 74.52 110.979 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.698 ' O ' HG23 ' A' ' 102' ' ' THR . 14.2 mt -40.65 -48.26 2.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 61.35 109.307 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.558 ' NZ ' ' CD2' ' A' ' 36' ' ' PHE . 3.2 tptt -48.09 -49.13 32.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 74.1 109.324 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 97' ' ' TYR . 9.4 ttmm -73.25 -25.04 60.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 72.11 109.329 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.579 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -77.3 -19.79 55.91 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.419 1.074 . . . . 75.14 109.305 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.923 HG22 ' O ' ' A' ' 32' ' ' LEU . 35.7 p -113.68 24.07 12.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 73.13 110.479 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -108.92 -16.3 14.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 70.44 109.269 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.502 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 16.7 mt-10 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.447 1.092 . . . . 74.3 110.306 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.015 -0.834 . . . . 52.2 111.015 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.62 -177.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 63.42 109.237 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 6' ' ' GLY . 0.2 OUTLIER -117.96 -50.86 4.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 75.34 109.324 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -50.96 -23.06 2.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 73.12 110.314 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -76.27 -35.57 58.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 75.51 109.326 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -94.28 -11.1 57.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.526 1.141 . . . . 72.04 111.016 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.565 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 12.9 tptm -72.76 -24.13 60.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 74.43 109.284 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.7 -43.73 15.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 60.43 109.328 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.7 mt -66.01 -11.37 12.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 74.32 109.291 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.556 ' CD1' ' HB2' ' A' ' 14' ' ' CYS . 3.9 t80 -87.02 -27.09 23.42 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.61 1.194 . . . . 72.24 111.007 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 15' ' ' SER . 20.1 mt -80.99 -68.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 74.44 109.339 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.3 mmt -40.88 -27.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 65.42 111.012 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.485 ' HD3' ' CE1' ' A' ' 82' ' ' PHE . 24.6 mttt -105.37 -71.8 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 64.41 109.297 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.556 ' HB2' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -86.87 50.61 2.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 32.54 108.3 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 11' ' ' ILE . 12.0 t -53.08 -82.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 63.31 110.042 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -120.36 58.18 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 65.25 110.261 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.636 ' CB ' ' HG1' ' A' ' 28' ' ' THR . 1.6 m -126.02 -46.59 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 75.41 108.311 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.456 ' CG ' HD12 ' A' ' 32' ' ' LEU . 88.2 m-70 -108.34 176.6 5.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 64.33 109.568 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.656 HG21 ' N ' ' A' ' 25' ' ' LYS . 2.2 p -118.76 -37.56 3.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 63.55 110.408 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.524 HG22 ' O ' ' A' ' 19' ' ' THR . 34.5 m 46.79 29.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 62.12 109.261 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.446 ' CG ' ' HB ' ' A' ' 19' ' ' THR . 1.6 pt-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 55.24 110.248 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.656 ' N ' HG21 ' A' ' 19' ' ' THR . 4.0 mmtm . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.274 -0.639 . . . . 63.34 109.274 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -120.22 115.58 23.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 74.52 109.645 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -119.61 -85.67 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 74.23 109.282 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.636 ' HG1' ' CB ' ' A' ' 17' ' ' CYS . 18.4 p -89.76 -44.19 10.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.394 1.058 . . . . 61.25 110.347 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -124.85 173.55 17.13 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 73.33 110.959 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.487 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 18.3 Cg_endo -74.96 142.19 27.69 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.517 1.798 . . . . 64.11 111.053 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 32' ' ' LEU . 4.3 t-20 -42.9 152.45 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 54.23 109.291 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.722 ' O ' HG22 ' A' ' 102' ' ' THR . 20.4 mt -125.68 76.95 1.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 74.54 109.318 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.433 ' N ' ' OD1' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -125.08 -43.64 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 64.43 109.59 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.408 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -101.2 31.73 8.31 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.5 1.125 . . . . 75.21 111.016 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.136 HD21 HD11 ' A' ' 64' ' ' LEU . 18.3 tp -57.59 -54.19 49.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.594 0.82 . . . . 70.13 109.315 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -76.3 122.99 25.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 61.41 111.077 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.15 43.48 8.69 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 44.23 111.006 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.408 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 28.5 ttp180 -152.99 163.98 38.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 0.742 . . . . 74.14 110.286 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.406 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 14.7 mtmt -97.96 -178.19 4.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 65.41 109.32 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 67.7 p -95.52 146.69 24.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 75.44 110.456 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.563 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 63.63 59.77 8.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.572 1.17 . . . . 62.5 111.01 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 43' ' ' ALA . 18.9 mm100 -108.85 -50.03 3.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.596 0.821 . . . . 74.22 110.272 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.65 ' HB3' ' OH ' ' A' ' 48' ' ' TYR . . . -39.48 99.93 0.2 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 70.23 109.286 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -75.0 0.14 9.27 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.461 1.769 . . . . 70.11 110.958 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.29 -23.07 17.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 63.41 110.937 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.514 ' O ' ' CE1' ' A' ' 48' ' ' TYR . 8.4 t80 -139.78 115.28 9.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 0.757 . . . . 73.2 111.04 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.3 m -89.03 123.45 33.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 74.42 110.002 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.65 ' OH ' ' HB3' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -84.31 -170.49 3.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.575 1.172 . . . . 74.5 110.991 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.596 HG23 ' HZ2' ' A' ' 79' ' ' LYS . 2.7 p -72.8 168.95 17.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 65.43 110.451 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.526 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -76.69 -20.65 56.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 65.45 109.276 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.568 ' HB1' ' O ' ' A' ' 76' ' ' PRO . . . -70.54 -28.72 65.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 73.13 109.293 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -96.74 -54.04 3.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 72.12 109.269 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.0 tttp -43.71 -50.53 7.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 75.03 109.263 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 50' ' ' ALA . 38.3 m-20 -53.16 -40.2 64.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 64.31 109.31 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 52' ' ' ASN . 15.5 tptp -43.62 141.16 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 71.13 109.363 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.472 ' O ' HG23 ' A' ' 57' ' ' ILE . . . -142.62 81.97 0.23 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.415 1.072 . . . . 74.1 110.995 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.507 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.5 pp -155.3 156.9 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 74.01 109.285 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.0 mm -84.79 138.64 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.158 . . . . 71.13 109.254 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -78.85 166.79 22.03 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.982 -1.118 . . . . 75.24 107.982 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 164.49 159.68 11.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.095 . . . . 64.1 111.0 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.708 ' HB2' HG21 ' A' ' 95' ' ' ILE . 5.6 pt-20 -54.06 -32.72 55.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 0.788 . . . . 64.13 110.259 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.91 -39.91 83.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 64.11 109.326 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.6 p -81.14 -19.58 43.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 73.22 110.437 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.136 HD11 HD21 ' A' ' 35' ' ' LEU . 72.9 mt -79.65 -24.59 41.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.12 . . . . 75.52 109.28 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.8 tpt -63.08 -61.38 2.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.177 . . . . 75.32 111.014 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.98 -37.13 86.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 74.21 110.31 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.402 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 67.9 t80 -60.11 -65.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 73.53 110.99 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.5 mt -52.48 -28.84 21.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 71.44 109.353 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -70.05 -38.45 75.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 72.12 110.277 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -162.97 80.2 1.67 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 62.35 109.272 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.402 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -75.04 -1.62 11.47 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.499 1.789 . . . . 74.42 111.018 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.74 -15.91 52.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 72.43 109.299 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.08 -41.0 5.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 55.5 109.343 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -63.68 -37.8 88.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 73.43 111.036 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.485 HG22 ' HB ' ' A' ' 78' ' ' THR . 4.1 mm -133.28 85.89 43.02 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 71.04 109.339 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.568 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -75.01 106.56 2.3 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.597 1.84 . . . . 75.43 110.996 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.2 41.29 2.1 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.535 1.147 . . . . 61.2 111.007 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.485 ' HB ' HG22 ' A' ' 75' ' ' ILE . 10.1 t -95.61 160.5 14.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.776 . . . . 74.51 110.384 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.86 ' O ' HD12 ' A' ' 81' ' ' ILE . 16.3 mtmm -92.09 -17.16 25.38 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.454 1.096 . . . . 61.34 109.306 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 7.0 ttt -67.63 102.37 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 75.05 111.043 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.86 HD12 ' O ' ' A' ' 79' ' ' LYS . 2.4 mp -74.71 93.15 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.514 1.134 . . . . 73.13 109.33 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.485 ' CE1' ' HD3' ' A' ' 13' ' ' LYS . 11.2 t80 -128.97 130.07 46.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 64.53 110.981 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.1 m -76.51 -38.65 32.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 72.2 109.302 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.19 160.7 15.5 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.429 1.081 . . . . 44.21 111.064 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.627 HD12 ' HG2' ' A' ' 91' ' ' ARG . 2.2 mt -112.98 139.22 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 73.43 109.314 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.15 -30.53 11.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.107 . . . . 72.24 109.324 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.412 ' CB ' ' HB2' ' A' ' 90' ' ' GLU . 14.1 mmmt -71.73 135.28 46.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.17 . . . . 71.11 109.32 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -79.88 -40.83 27.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 73.43 109.313 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -69.54 -43.01 73.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 73.44 110.255 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.412 ' HB2' ' CB ' ' A' ' 87' ' ' LYS . 22.4 tt0 -49.94 -24.02 2.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 64.24 110.233 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.627 ' HG2' HD12 ' A' ' 85' ' ' ILE . 92.3 mtm-85 -97.22 -42.14 7.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 42.25 110.302 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.89 -34.49 54.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 62.14 109.333 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.766 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 3.8 t0 -74.42 -59.36 2.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 75.33 109.285 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 18.8 tp -43.19 -65.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 64.13 109.307 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.708 HG21 ' HB2' ' A' ' 61' ' ' GLU . 19.8 mt -40.99 -40.96 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 73.24 109.341 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.766 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -54.57 -59.2 5.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 61.14 109.299 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.629 ' CE1' ' HB2' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -60.66 -57.35 13.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 74.52 110.972 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.607 ' O ' HG23 ' A' ' 102' ' ' THR . 11.0 mt -51.38 -30.29 18.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.15 . . . . 61.35 109.327 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 61.4 tttp -71.27 -32.91 69.27 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.454 1.096 . . . . 74.1 109.312 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -89.39 -16.41 31.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 72.11 109.279 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.629 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -81.34 -45.48 16.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 75.14 109.256 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 32' ' ' LEU . 21.1 p -90.68 25.59 2.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 73.13 110.417 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -110.75 -29.23 8.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 70.44 109.326 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 74.3 110.326 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.993 -0.843 . . . . 52.2 110.993 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -64.38 133.08 51.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 0.785 . . . . 63.42 109.317 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 6' ' ' GLY . 1.1 m -78.44 -41.74 25.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.158 . . . . 75.34 109.279 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -45.16 -47.31 12.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 73.12 110.26 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.666 ' O ' HD12 ' A' ' 9' ' ' ILE . 13.6 mptt -57.0 -35.32 69.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 75.51 109.296 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.465 ' O ' ' CB ' ' A' ' 10' ' ' PHE . . . -88.08 -13.82 63.54 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.133 . . . . 72.04 111.023 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.573 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 16.0 ttpp -76.48 -41.26 47.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 0.779 . . . . 74.43 109.281 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.405 ' NZ ' ' HA ' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -85.19 -15.64 42.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 60.43 109.365 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.666 HD12 ' O ' ' A' ' 5' ' ' LYS . 93.2 mt -93.73 -24.66 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 74.32 109.301 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.467 ' CD1' HD21 ' A' ' 98' ' ' LEU . 7.8 t80 -73.31 -20.08 60.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 72.24 110.968 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.3 mt -83.63 -69.47 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 74.44 109.206 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -48.06 -25.9 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 65.42 111.002 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -98.0 -35.68 10.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 64.41 109.286 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -135.26 81.43 1.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 32.54 108.302 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.0 t -114.12 138.35 50.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 63.31 110.041 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 40.03 39.11 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 65.25 110.3 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -134.47 -49.7 0.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 75.41 108.259 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -115.61 162.15 17.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.406 1.066 . . . . 64.33 109.573 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.826 HG21 ' O ' ' A' ' 25' ' ' LYS . 39.5 p -130.39 158.37 40.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.172 . . . . 63.55 110.384 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 21' ' ' GLU . 3.8 m -132.43 -47.94 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 62.12 109.338 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.438 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 2.8 pt-20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 55.24 110.275 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.826 ' O ' HG21 ' A' ' 19' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.384 -0.599 . . . . 63.34 109.384 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.513 ' CD2' ' HB2' ' A' ' 31' ' ' ASN . 8.1 m170 -68.33 131.59 45.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 74.52 109.568 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -119.17 -101.35 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 74.23 109.253 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.6 m -69.39 -33.59 73.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 61.25 110.474 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.19 176.82 20.75 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.5 1.125 . . . . 73.33 110.94 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.474 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 18.6 Cg_endo -74.93 149.29 36.84 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.498 1.788 . . . . 64.11 110.968 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.513 ' HB2' ' CD2' ' A' ' 26' ' ' HIS . 9.2 t-20 -64.14 118.2 8.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 54.23 109.309 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.584 HD13 HD13 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -49.86 -26.34 3.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 74.54 109.336 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -41.32 -39.72 1.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 64.43 109.536 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.88 48.6 1.08 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.488 1.118 . . . . 75.21 110.969 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.728 HD21 ' CD1' ' A' ' 64' ' ' LEU . 16.6 tp -89.86 -74.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 0.74 . . . . 70.13 109.312 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -62.54 114.39 3.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 61.41 110.942 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.07 40.05 4.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 44.23 110.985 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.8 ttm-85 -149.14 119.61 7.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 0.781 . . . . 74.14 110.305 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -63.8 -175.11 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 65.41 109.336 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.4 p -84.62 122.19 28.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 75.44 110.39 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.541 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 72.72 57.34 5.45 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.508 1.13 . . . . 62.5 111.015 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 44' ' ' PRO . 19.3 mm100 -110.67 -36.28 5.77 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 0.795 . . . . 74.22 110.331 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.54 99.89 0.2 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 70.23 109.351 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.5 Cg_endo -74.93 -1.51 11.3 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.469 1.773 . . . . 70.11 111.018 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.52 -10.58 35.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 63.41 111.029 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -154.94 138.08 15.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.774 . . . . 73.2 110.973 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.7 m -109.63 144.17 38.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.455 1.097 . . . . 74.42 110.033 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.603 ' CD1' ' N ' ' A' ' 48' ' ' TYR . 0.7 OUTLIER -103.64 -173.92 2.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 74.5 110.978 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.0 p -66.28 179.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 65.43 110.393 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.7 11.24 20.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 65.45 109.359 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.64 -45.1 6.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 73.13 109.306 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -85.21 -46.8 10.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 72.12 109.308 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -45.35 -27.7 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 75.03 109.26 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -70.69 -47.42 59.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 64.31 109.289 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 52' ' ' ASN . 6.7 tptm -44.29 149.25 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 71.13 109.345 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.481 ' O ' HG23 ' A' ' 57' ' ' ILE . . . -142.58 78.58 0.27 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.421 1.076 . . . . 74.1 110.931 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.528 HD12 ' O ' ' A' ' 58' ' ' ILE . 2.6 pp -155.11 172.1 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 74.01 109.281 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.528 ' O ' HD12 ' A' ' 57' ' ' ILE . 3.6 mm -92.12 165.1 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 71.13 109.355 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.532 ' CE3' ' CD2' ' A' ' 64' ' ' LEU . 25.7 m95 -106.99 83.14 1.78 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.508 1.13 . . . . 75.24 108.016 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -95.17 -157.8 32.56 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.459 1.099 . . . . 64.1 110.984 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 65' ' ' MET . 1.7 mp0 -87.57 -48.4 7.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 0.751 . . . . 64.13 110.209 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -63.39 -36.65 84.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 64.11 109.298 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 48.2 p -64.0 -64.24 0.94 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 73.22 110.387 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.728 ' CD1' HD21 ' A' ' 35' ' ' LEU . 39.9 mt -56.05 -36.13 67.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 75.52 109.36 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.451 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 2.8 mmt -52.75 -19.56 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 75.32 111.027 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -105.51 -47.5 3.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 74.21 110.359 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.452 ' O ' ' N ' ' A' ' 71' ' ' PRO . 5.2 t80 -54.15 -60.88 2.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 73.53 111.022 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.761 HD13 HH12 ' A' ' 91' ' ' ARG . 4.7 mt -60.42 -23.58 64.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 71.44 109.287 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -75.74 -33.33 60.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 72.12 110.308 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -160.72 73.44 2.79 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.6 1.187 . . . . 62.35 109.3 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 67' ' ' TYR . 18.5 Cg_endo -74.97 -1.26 10.98 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 74.42 111.017 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -85.2 -17.09 38.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 72.43 109.232 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.87 -44.11 4.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 55.5 109.304 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -53.71 -51.86 61.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.165 . . . . 73.43 111.038 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.703 ' O ' HG22 ' A' ' 78' ' ' THR . 4.4 mt -137.31 88.26 17.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 71.04 109.301 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 127.26 10.56 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 75.43 111.011 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.03 -19.82 34.45 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.5 1.125 . . . . 61.2 110.982 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.703 HG22 ' O ' ' A' ' 75' ' ' ILE . 1.5 t -45.77 166.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.789 . . . . 74.51 110.421 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -88.7 -15.72 34.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 61.34 109.27 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 13.2 mmm -50.15 97.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 75.05 110.967 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 81' ' ' ILE . 22.0 mm -77.05 58.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 73.13 109.223 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.498 ' CZ ' HG13 ' A' ' 85' ' ' ILE . 1.5 t80 -107.06 153.08 23.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 64.53 110.989 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.2 m -99.76 -28.8 3.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.457 1.098 . . . . 72.2 109.327 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.72 128.41 5.56 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.575 1.172 . . . . 44.21 110.996 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.634 HG22 ' O ' ' A' ' 87' ' ' LYS . 65.2 mt -84.37 84.92 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 73.43 109.342 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -42.9 -54.58 4.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 72.24 109.338 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.634 ' O ' HG22 ' A' ' 85' ' ' ILE . 11.6 mmmt -62.74 137.01 58.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 71.11 109.278 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.46 -25.65 22.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.088 . . . . 73.43 109.28 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -58.88 -64.63 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 73.44 110.333 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.94 -20.71 17.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 64.24 110.274 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 1.068 ' NH2' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -76.94 -37.36 55.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 42.25 110.293 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 93' ' ' ASP . . . -71.56 -67.2 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 62.14 109.305 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.687 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 28.4 m-20 -40.25 -49.31 2.7 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.559 1.162 . . . . 75.33 109.326 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.861 HD11 HD12 ' A' ' 98' ' ' LEU . 1.9 tm? -44.51 -51.46 8.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 64.13 109.302 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 1.068 HD11 ' NH2' ' A' ' 91' ' ' ARG . 15.7 mt -64.21 -32.8 58.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 73.24 109.263 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -52.95 -32.49 46.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 61.14 109.272 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.573 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 7.3 t80 -95.17 -42.93 8.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 74.52 111.052 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.861 HD12 HD11 ' A' ' 94' ' ' LEU . 25.8 mt -66.51 -13.22 60.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 1.073 . . . . 61.35 109.284 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 95' ' ' ILE . 61.4 tttm -98.33 -20.24 17.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 74.1 109.274 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 37.3 tttp -100.89 -14.43 17.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 72.11 109.292 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -90.16 -28.06 19.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 75.14 109.301 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 98' ' ' LEU . 23.4 p -104.4 23.44 13.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 73.13 110.438 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -111.36 -16.99 13.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 70.44 109.279 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 74.3 110.292 -179.943 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.115 -0.794 . . . . 52.2 111.115 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -71.89 131.64 43.28 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.463 0.743 . . . . 63.42 109.24 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 6' ' ' GLY . 1.2 m -77.49 -42.43 30.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 75.34 109.276 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -46.29 -43.06 15.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.622 1.201 . . . . 73.12 110.275 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.64 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.9 mptp? -59.85 -35.17 74.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 75.51 109.25 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -92.79 -6.56 63.61 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.463 1.102 . . . . 72.04 111.047 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.566 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 8.0 tttm -78.73 -60.71 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.405 0.709 . . . . 74.43 109.313 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm -60.8 -31.43 70.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 60.43 109.341 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 5' ' ' LYS . 70.6 mt -72.57 -42.0 63.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 74.32 109.326 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.545 ' CD1' HD21 ' A' ' 98' ' ' LEU . 25.6 t80 -65.12 -17.74 64.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.594 1.184 . . . . 72.24 111.037 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.456 ' O ' ' CB ' ' A' ' 15' ' ' SER . 30.8 mt -85.32 -57.92 3.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.527 1.142 . . . . 74.44 109.33 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 58.4 mtp -63.63 -11.29 24.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 65.42 110.985 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.549 ' CE ' HG23 ' A' ' 9' ' ' ILE . 37.1 mttm -113.51 -36.7 4.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 64.41 109.278 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -132.23 79.17 1.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 32.54 108.261 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.3 p -117.42 145.93 43.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 63.31 110.02 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 41.78 33.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 65.25 110.292 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -133.06 -71.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 75.41 108.279 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -96.55 140.6 30.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 64.33 109.573 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.905 HG21 ' O ' ' A' ' 25' ' ' LYS . 27.8 p -112.37 154.09 26.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 63.55 110.346 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.7 m -136.5 12.17 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.073 . . . . 62.12 109.304 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 55.24 110.281 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.905 ' O ' HG21 ' A' ' 19' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.318 -0.623 . . . . 63.34 109.318 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.519 ' ND1' ' HA ' ' A' ' 30' ' ' PRO . 5.3 m170 -83.34 136.19 34.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 74.52 109.587 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -122.16 -77.11 0.59 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 74.23 109.372 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 m -96.87 -35.84 10.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 61.25 110.341 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -134.18 169.87 22.81 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.15 . . . . 73.33 111.003 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.525 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.06 138.09 22.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.447 1.762 . . . . 64.11 110.956 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.468 ' ND2' ' CB ' ' A' ' 19' ' ' THR . 9.8 t-20 -54.48 121.3 8.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 54.23 109.308 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 19' ' ' THR . 94.8 mt -59.8 -16.75 30.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.478 1.111 . . . . 74.54 109.335 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -40.07 -46.22 2.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 64.43 109.621 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.574 ' HA3' HH21 ' A' ' 38' ' ' ARG . . . -102.1 50.14 0.97 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.628 1.205 . . . . 75.21 110.991 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.768 HD21 HD11 ' A' ' 64' ' ' LEU . 20.5 tp -88.72 -75.62 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 0.737 . . . . 70.13 109.275 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -60.76 98.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 61.41 111.025 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.64 33.58 2.23 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 44.23 110.963 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.574 HH21 ' HA3' ' A' ' 34' ' ' GLY . 38.3 ttm-85 -150.06 106.46 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 74.14 110.262 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.798 ' HE3' HD11 ' A' ' 58' ' ' ILE . 4.3 ttmt -45.03 167.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 65.41 109.262 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.731 HG22 ' NE1' ' A' ' 59' ' ' TRP . 3.2 p -79.03 109.34 13.24 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 75.44 110.453 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.544 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 92.84 60.68 1.19 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.532 1.145 . . . . 62.5 110.958 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 43' ' ' ALA . 61.1 mm-40 -118.89 -38.38 3.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 74.22 110.316 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.54 99.94 0.2 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 70.23 109.315 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -75.02 -1.45 11.24 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.516 1.798 . . . . 70.11 110.989 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.2 -21.65 14.82 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.125 . . . . 63.41 111.033 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -146.78 119.28 8.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 0.76 . . . . 73.2 110.954 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.4 m -92.19 143.76 26.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 74.42 110.039 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.58 ' CD1' ' N ' ' A' ' 48' ' ' TYR . 0.7 OUTLIER -100.91 -174.93 2.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.4 1.063 . . . . 74.5 111.035 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.42 HG23 ' HE2' ' A' ' 79' ' ' LYS . 3.3 p -57.91 175.4 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.6 1.187 . . . . 65.43 110.427 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.82 -15.92 46.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 65.45 109.303 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.73 -26.18 21.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 73.13 109.326 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -83.97 -50.78 7.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 72.12 109.305 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -51.83 -34.4 40.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 75.03 109.306 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -56.24 -40.6 74.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 64.31 109.281 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -52.95 137.32 32.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 71.13 109.349 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.43 76.58 0.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 74.1 111.013 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.429 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.6 pp -149.78 158.29 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 74.01 109.318 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.798 HD11 ' HE3' ' A' ' 39' ' ' LYS . 35.8 mm -88.91 126.14 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 71.13 109.282 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.731 ' NE1' HG22 ' A' ' 40' ' ' THR . 88.1 m95 -69.96 152.5 44.38 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.971 -1.122 . . . . 75.24 107.971 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.71 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -160.33 -155.4 7.74 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.54 1.15 . . . . 64.1 110.952 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.408 ' CG ' ' HD2' ' A' ' 99' ' ' LYS . 14.1 mt-10 -87.69 -32.95 18.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 64.13 110.264 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.446 ' CG ' ' N ' ' A' ' 63' ' ' THR . 2.4 p-10 -80.01 -49.39 11.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 64.11 109.275 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.446 ' N ' ' CG ' ' A' ' 62' ' ' ASP . 18.7 p -61.37 -18.89 60.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 73.22 110.409 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.768 HD11 HD21 ' A' ' 35' ' ' LEU . 20.8 mt -90.57 -47.39 7.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 75.52 109.308 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 tpt -44.17 -38.01 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 75.32 110.955 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 69' ' ' GLU . 64.8 tt0 -79.25 -54.23 6.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 74.21 110.317 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -48.4 -30.12 4.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 73.53 110.984 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.787 HD11 HD12 ' A' ' 94' ' ' LEU . 15.9 mt -78.3 -32.67 49.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 71.44 109.294 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 66' ' ' GLU . 59.4 tt0 -69.93 -30.51 67.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 72.12 110.294 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -170.91 85.2 0.51 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 62.35 109.339 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -33.79 4.31 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.459 1.768 . . . . 74.42 111.059 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.454 ' HA ' ' CE ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -58.69 -29.58 66.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 72.43 109.317 179.889 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.468 ' HZ3' ' HB3' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -81.57 -58.68 2.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 55.5 109.285 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -42.4 -31.83 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 73.43 111.032 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.56 ' O ' HG22 ' A' ' 78' ' ' THR . 3.2 mt -142.75 90.33 7.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 71.04 109.278 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 116.62 4.64 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.575 1.829 . . . . 75.43 110.992 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.75 -8.15 31.86 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 61.2 111.013 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 75' ' ' ILE . 2.1 t -51.45 171.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 74.51 110.392 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.72 ' O ' HD12 ' A' ' 81' ' ' ILE . 13.5 mtmt -96.73 -15.79 21.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 61.34 109.324 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 38.6 mmm -44.49 99.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 75.05 110.999 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 79' ' ' LYS . 1.8 mp -64.78 -19.24 25.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 73.13 109.362 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -45.69 168.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 64.53 110.967 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.6 m -117.17 -44.3 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 72.2 109.307 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.67 -179.2 17.84 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.131 . . . . 44.21 111.009 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.7 mt -132.07 148.67 32.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.557 0.798 . . . . 73.43 109.327 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -104.01 -37.42 7.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 72.24 109.296 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.504 ' HB3' ' HZ2' ' A' ' 87' ' ' LYS . 1.0 OUTLIER -76.82 108.11 9.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 71.11 109.287 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.57 -16.71 61.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 73.43 109.365 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -69.01 -51.9 34.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 73.44 110.263 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -58.73 -27.75 65.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 64.24 110.384 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 80.1 mtm-85 -69.86 -40.03 75.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 42.25 110.304 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 96' ' ' ALA . . . -65.63 -56.97 9.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 62.14 109.277 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -55.95 -39.69 72.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 75.33 109.328 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.787 HD12 HD11 ' A' ' 68' ' ' LEU . 2.9 tm? -62.9 -37.02 85.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 64.13 109.345 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.488 HD11 HD12 ' A' ' 68' ' ' LEU . 51.0 mt -83.88 -17.78 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 73.24 109.268 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 92' ' ' ALA . . . -73.84 -26.18 60.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.157 . . . . 61.14 109.307 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.566 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 5.6 t80 -97.38 -33.74 11.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 74.52 111.011 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.556 HD12 ' CD1' ' A' ' 94' ' ' LEU . 33.1 mt -74.48 -16.07 60.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 61.35 109.33 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.408 ' HD2' ' CG ' ' A' ' 61' ' ' GLU . 43.4 tttp -97.14 -15.78 20.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 74.1 109.309 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.9 tttp -105.89 -15.68 14.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 72.11 109.257 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -85.14 -45.71 11.79 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.528 1.142 . . . . 75.14 109.276 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.5 p -92.87 26.42 2.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.621 1.201 . . . . 73.13 110.458 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -133.58 15.67 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 70.44 109.339 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 74.3 110.319 179.928 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.014 -0.834 . . . . 52.2 111.014 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -61.52 127.71 32.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 63.42 109.299 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.1 m -78.14 -35.95 20.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.598 1.186 . . . . 75.34 109.327 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 7' ' ' LYS . 28.3 mt-10 -47.97 -58.63 4.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 73.12 110.27 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.791 ' O ' HD12 ' A' ' 9' ' ' ILE . 9.1 mmtm -49.13 -24.08 1.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 75.51 109.308 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.1 -24.85 15.67 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 72.04 111.004 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.556 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 0.7 OUTLIER -71.18 -61.17 1.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 74.43 109.29 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.724 ' HA ' HD12 ' A' ' 11' ' ' ILE . 29.7 mmtt -53.18 -47.48 68.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 60.43 109.318 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.791 HD12 ' O ' ' A' ' 5' ' ' LYS . 28.1 mt -60.67 -42.03 90.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 74.32 109.304 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.514 ' CD1' HD21 ' A' ' 98' ' ' LEU . 10.0 t80 -65.14 -16.94 64.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 72.24 111.013 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.724 HD12 ' HA ' ' A' ' 8' ' ' LYS . 45.3 mt -86.48 -61.16 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 74.44 109.296 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 44.2 mtt -59.06 -15.43 13.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 65.42 110.958 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.547 ' CE ' HG23 ' A' ' 9' ' ' ILE . 51.6 mttt -109.37 -42.76 4.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 64.41 109.272 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.82 77.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 32.54 108.271 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 p -109.37 131.25 55.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 63.31 110.013 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 38.92 47.22 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 65.25 110.344 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -137.79 -50.23 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 75.41 108.28 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.538 ' O ' HG23 ' A' ' 19' ' ' THR . 10.8 m-70 -103.57 -174.8 2.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 64.33 109.587 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 18' ' ' HIS . 9.4 p -156.08 155.58 32.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 63.55 110.419 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.441 HG23 ' N ' ' A' ' 21' ' ' GLU . 16.3 m -136.45 -47.66 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 62.12 109.288 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.441 ' N ' HG23 ' A' ' 20' ' ' VAL . 1.5 pt-20 -68.6 151.16 47.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 55.24 110.291 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -54.64 -39.06 67.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 73.14 109.275 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.81 -25.9 69.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.465 1.103 . . . . 60.4 111.003 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.91 88.47 0.66 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.978 -0.849 . . . . 42.54 110.978 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' O ' HG21 ' A' ' 19' ' ' THR . 8.4 ptpt -71.23 164.65 25.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 63.34 109.308 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.403 ' H ' ' CD2' ' A' ' 26' ' ' HIS . 8.6 m-70 -67.83 125.73 27.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.118 . . . . 74.52 109.624 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -123.43 -103.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 74.23 109.322 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.9 m -69.94 -39.93 75.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 61.25 110.427 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -130.81 176.01 19.15 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 73.33 110.985 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.479 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -74.98 151.02 39.11 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 64.11 111.044 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.46 ' O ' HD23 ' A' ' 32' ' ' LEU . 8.4 t-20 -75.61 158.95 31.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 54.23 109.313 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.661 ' O ' HG22 ' A' ' 102' ' ' THR . 10.3 mt -128.61 98.9 5.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 74.54 109.283 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -118.41 -50.37 2.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 64.43 109.592 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.436 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -101.43 28.05 17.76 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.506 1.129 . . . . 75.21 110.965 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.652 HD21 HD11 ' A' ' 64' ' ' LEU . 6.3 tp -41.7 -73.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 70.13 109.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.563 ' CD1' ' HG3' ' A' ' 99' ' ' LYS . 52.9 m-85 -59.8 103.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 61.41 110.974 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.17 14.96 15.27 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.116 . . . . 44.23 110.998 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.436 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 19.3 ttp180 -137.7 137.99 38.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 74.14 110.315 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -77.32 -174.1 3.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 65.41 109.257 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 57' ' ' ILE . 20.3 p -87.8 157.35 19.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 75.44 110.408 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.525 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 60.68 39.17 96.25 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.431 1.082 . . . . 62.5 111.028 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -103.52 27.55 7.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 74.22 110.289 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.464 ' CB ' ' OH ' ' A' ' 48' ' ' TYR . . . -110.44 98.88 38.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 70.23 109.304 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 0.19 9.2 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.534 1.807 . . . . 70.11 110.992 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.44 -14.33 26.02 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.098 . . . . 63.41 110.986 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.594 ' O ' ' CE1' ' A' ' 48' ' ' TYR . 15.7 t80 -152.31 102.52 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 0.752 . . . . 73.2 110.998 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.4 m -74.85 133.65 41.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 74.42 109.978 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.594 ' CE1' ' O ' ' A' ' 46' ' ' TYR . 3.1 m-30 -93.85 -168.31 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 74.5 111.019 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 p -70.82 -175.96 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 65.43 110.398 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.92 -3.35 54.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 65.45 109.319 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -95.82 -39.33 9.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 73.13 109.335 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -80.85 -41.35 23.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 72.12 109.322 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -63.74 -15.27 58.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 75.03 109.295 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.0 -8.98 26.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 64.31 109.299 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -77.05 57.23 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 71.13 109.31 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.457 ' O ' ' CG2' ' A' ' 57' ' ' ILE . . . -62.77 85.93 0.05 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 74.1 110.992 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 40' ' ' THR . 2.4 pp -154.98 146.04 13.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.776 . . . . 74.01 109.298 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.6 mm -76.86 151.24 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 71.13 109.319 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.553 ' CZ2' HAA1 ' A' ' 500' ' ' HEC . 19.1 m95 -97.69 87.9 4.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 75.24 108.034 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -107.34 -176.88 22.65 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 64.1 111.007 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -77.93 -13.84 59.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 0.742 . . . . 64.13 110.344 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -88.96 -30.64 18.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 64.11 109.266 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 64' ' ' LEU . 63.1 p -91.06 -54.83 3.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 73.22 110.411 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.652 HD11 HD21 ' A' ' 35' ' ' LEU . 27.8 mt -40.63 -40.89 1.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 75.52 109.303 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.499 ' CE ' ' CB ' ' A' ' 91' ' ' ARG . 2.5 tpt -53.54 -68.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 75.32 110.958 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.05 -60.94 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 74.21 110.265 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.528 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 81.4 t80 -48.21 -41.19 26.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 73.53 111.012 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.044 HD12 HD11 ' A' ' 95' ' ' ILE . 18.5 mt -63.05 -33.36 75.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 71.44 109.338 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.405 ' HB2' ' NH1' ' A' ' 91' ' ' ARG . 33.6 tt0 -71.38 -39.27 71.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 72.12 110.311 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -163.06 83.91 1.45 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 62.35 109.291 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.528 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.02 -30.73 6.82 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.801 . . . . 74.42 111.024 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -51.62 -53.47 38.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 72.43 109.311 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -38.81 83.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 55.5 109.285 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -53.13 -32.04 45.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 73.43 110.981 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.5 mt -146.84 89.9 5.59 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 71.04 109.316 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 143.84 29.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.508 1.794 . . . . 75.43 110.993 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.47 23.84 74.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.554 1.159 . . . . 61.2 111.031 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.459 ' OG1' ' CGD' ' A' ' 500' ' ' HEC . 5.5 t -84.6 -179.66 7.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 74.51 110.441 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.45 -28.8 12.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 61.34 109.273 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.419 ' N ' ' O2D' ' A' ' 500' ' ' HEC . 8.0 ttt -63.3 132.85 52.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 75.05 110.997 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.8 mt -112.41 128.59 68.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 73.13 109.294 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -163.48 155.93 18.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 64.53 111.033 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.5 m -98.37 -35.44 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 72.2 109.304 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 118.12 176.9 17.05 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.439 1.087 . . . . 44.21 110.999 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 14.4 mt -127.13 142.3 43.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 73.43 109.319 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -90.88 -67.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 72.24 109.337 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -51.98 133.26 32.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 71.11 109.309 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -83.68 -23.71 31.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 73.43 109.318 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.7 mp0 -70.79 -48.09 56.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 73.44 110.333 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.78 -25.26 54.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 64.24 110.328 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.499 ' CB ' ' CE ' ' A' ' 65' ' ' MET . 48.6 mtm180 -81.41 -37.31 28.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 42.25 110.295 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 96' ' ' ALA . . . -59.96 -59.25 5.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 62.14 109.279 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.443 ' HA ' ' HB3' ' A' ' 96' ' ' ALA . 14.0 m-20 -54.19 -32.9 56.85 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 75.33 109.325 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.16 -42.83 96.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 64.13 109.333 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 1.044 HD11 HD12 ' A' ' 68' ' ' LEU . 21.5 mt -83.08 -15.77 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 73.24 109.311 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.443 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . . . -77.08 -24.61 51.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 61.14 109.287 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.556 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 3.3 t80 -96.18 -47.73 5.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 74.52 110.976 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.874 ' O ' HG23 ' A' ' 102' ' ' THR . 24.3 mt -53.07 -28.96 27.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 61.35 109.318 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.563 ' HG3' ' CD1' ' A' ' 36' ' ' PHE . 76.7 tttt -72.17 -44.39 63.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 74.1 109.326 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -78.17 -15.02 59.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 72.11 109.334 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -85.8 -38.78 17.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 75.14 109.333 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.874 HG23 ' O ' ' A' ' 98' ' ' LEU . 57.1 p -79.73 -49.58 11.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 73.13 110.424 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -47.09 -54.98 9.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 70.44 109.285 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 74.3 110.241 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.769 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.021 -0.832 . . . . 52.2 111.021 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -51.49 118.68 3.48 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.485 0.756 . . . . 63.42 109.316 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.0 OUTLIER -78.72 -39.1 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 75.34 109.283 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 7' ' ' LYS . 7.1 mm-40 -48.79 -57.11 6.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 73.12 110.317 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.814 ' O ' HD12 ' A' ' 9' ' ' ILE . 4.6 mptp? -48.46 -24.46 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 75.51 109.372 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 10' ' ' PHE . . . -96.61 -24.9 12.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 72.04 111.057 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.574 ' CD ' ' CZ ' ' A' ' 97' ' ' TYR . 12.4 tptm -63.9 -37.76 88.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 0.814 . . . . 74.43 109.324 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.542 ' CD ' ' N ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -77.77 -52.53 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 60.43 109.27 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.814 HD12 ' O ' ' A' ' 5' ' ' LYS . 42.8 mt -60.09 -25.28 32.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 74.32 109.291 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.498 ' CB ' ' O ' ' A' ' 6' ' ' GLY . 10.1 t80 -66.4 -30.79 71.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 72.24 110.982 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.6 mt -81.66 -70.56 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 74.44 109.418 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 12.4 mmt -39.38 -31.36 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 65.42 111.018 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -98.25 -38.8 9.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 64.41 109.36 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.9 OUTLIER -133.23 80.95 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 32.54 108.244 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.0 p -82.07 -86.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 63.31 110.021 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -112.9 59.21 0.65 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.596 1.185 . . . . 65.25 110.334 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.421 ' HA ' ' OG1' ' A' ' 28' ' ' THR . 1.3 m -131.93 -50.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 75.41 108.278 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -112.19 167.15 10.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 64.33 109.579 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.1 p -136.26 173.85 11.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 63.55 110.408 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.499 ' HB ' ' HB1' ' A' ' 101' ' ' ALA . 33.1 m -138.2 -51.25 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 62.12 109.276 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.479 ' N ' HG23 ' A' ' 20' ' ' VAL . 5.9 pt-20 -38.91 114.33 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.174 . . . . 55.24 110.356 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.2 -44.38 22.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 73.14 109.289 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.3 48.78 4.09 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.461 1.101 . . . . 60.4 110.995 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -117.34 -175.32 17.22 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.985 -0.846 . . . . 42.54 110.985 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -123.11 174.45 7.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 0.791 . . . . 63.34 109.294 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -106.1 131.02 53.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 74.52 109.582 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -117.64 -99.46 0.44 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.551 1.157 . . . . 74.23 109.303 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.421 ' OG1' ' HA ' ' A' ' 17' ' ' CYS . 16.4 p -74.39 -35.46 63.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 61.25 110.461 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.49 172.95 22.53 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.49 1.119 . . . . 73.33 111.031 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.516 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -75.0 147.61 34.13 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.403 1.739 . . . . 64.11 111.042 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' A' ' 32' ' ' LEU . 7.2 t-20 -63.64 168.41 4.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 54.23 109.299 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.646 ' HB3' HG22 ' A' ' 102' ' ' THR . 8.8 mp -117.89 86.1 2.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 74.54 109.298 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -119.44 -56.36 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 64.43 109.62 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.09 25.39 27.98 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 75.21 110.97 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.797 HD21 HD11 ' A' ' 64' ' ' LEU . 17.0 tp -40.48 -74.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 70.13 109.299 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.537 ' CE1' ' HB2' ' A' ' 99' ' ' LYS . 58.1 m-85 -63.83 95.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 61.41 110.933 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.66 31.85 2.05 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.433 1.083 . . . . 44.23 111.005 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -142.39 108.24 5.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 0.737 . . . . 74.14 110.337 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.58 177.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.595 1.184 . . . . 65.41 109.277 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.0 p -77.08 162.35 27.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 75.44 110.446 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.529 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 41.2 56.59 3.29 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.517 1.136 . . . . 62.5 111.035 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 43' ' ' ALA . 41.9 mm-40 -112.27 -29.46 7.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 0.756 . . . . 74.22 110.294 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.513 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -39.44 99.85 0.2 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 70.23 109.264 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.0 Cg_endo -75.05 61.2 5.66 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.52 1.8 . . . . 70.11 110.969 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -177.6 -47.38 0.07 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.527 1.142 . . . . 63.41 110.985 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -110.88 123.75 50.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 0.722 . . . . 73.2 110.955 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.9 p -96.22 139.87 31.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 74.42 109.923 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.529 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 1.8 m-30 -96.36 -174.09 2.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 74.5 111.02 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.5 p -69.15 168.41 14.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 65.43 110.395 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.84 -15.46 61.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 65.45 109.231 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.87 -25.82 32.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.387 1.054 . . . . 73.13 109.242 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.449 ' C ' ' N ' ' A' ' 54' ' ' ASN . 13.2 t-20 -90.58 -62.37 1.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.603 1.189 . . . . 72.12 109.361 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -40.79 -29.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 75.03 109.293 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.449 ' N ' ' C ' ' A' ' 52' ' ' ASN . 3.1 t-20 -62.5 -53.78 49.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 64.31 109.324 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' ASN . 7.1 tptt -40.52 145.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 71.13 109.339 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.29 78.87 0.27 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.463 1.102 . . . . 74.1 110.99 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.9 pp -149.88 172.52 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.742 . . . . 74.01 109.268 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.2 mm -104.58 148.43 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 71.13 109.315 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.433 ' CZ2' HAA1 ' A' ' 500' ' ' HEC . 80.2 m95 -93.14 146.82 23.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 75.24 108.021 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.723 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -165.45 -145.56 4.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.122 . . . . 64.1 111.044 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -86.98 -47.18 9.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 0.747 . . . . 64.13 110.336 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -68.46 -64.13 0.92 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 64.11 109.294 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.403 ' H ' HG23 ' A' ' 63' ' ' THR . 71.8 p -41.2 -54.22 2.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 73.22 110.419 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.797 HD11 HD21 ' A' ' 35' ' ' LEU . 69.2 mt -59.25 -60.0 4.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 75.52 109.312 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.464 ' CE ' ' HB2' ' A' ' 91' ' ' ARG . 30.0 tpp -43.13 -32.25 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 75.32 111.023 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -79.25 -39.24 33.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 74.21 110.303 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.604 ' CE1' ' CB ' ' A' ' 71' ' ' PRO . 12.2 t80 -64.79 -51.84 60.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 73.53 110.986 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.491 HD12 ' CD1' ' A' ' 85' ' ' ILE . 4.3 mm? -49.09 -44.95 42.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 71.44 109.319 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -49.12 -44.31 42.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 72.12 110.391 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -167.23 85.6 0.81 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 62.35 109.313 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.604 ' CB ' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.97 -0.67 10.23 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.423 1.749 . . . . 74.42 110.993 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -84.03 -30.18 26.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 72.43 109.273 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -84.86 -41.43 16.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 55.5 109.288 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -56.95 -37.88 72.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 73.43 111.034 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.541 ' O ' HG22 ' A' ' 78' ' ' THR . 18.7 mt -147.95 90.38 5.1 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 71.04 109.257 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 122.34 7.13 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 75.43 111.061 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.71 -12.19 35.38 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.477 1.11 . . . . 61.2 111.02 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.541 HG22 ' O ' ' A' ' 75' ' ' ILE . 2.8 t -52.3 167.48 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 0.756 . . . . 74.51 110.38 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 81' ' ' ILE . 3.1 mtmp? -88.81 -17.37 29.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 61.34 109.348 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.475 ' HG2' ' C4D' ' A' ' 500' ' ' HEC . 15.1 mmm -52.94 88.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 75.05 111.011 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.714 HG22 ' O ' ' A' ' 81' ' ' ILE . 14.1 mm -72.01 72.5 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 73.13 109.354 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -140.51 156.39 46.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.091 . . . . 64.53 110.973 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.6 m -105.95 -29.42 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 72.2 109.32 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 122.98 -178.18 16.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 44.21 111.025 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.491 ' CD1' HD12 ' A' ' 68' ' ' LEU . 20.3 mt -114.89 140.31 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.769 . . . . 73.43 109.345 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.2 mttp -79.59 -69.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 72.24 109.359 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -56.61 109.15 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 71.11 109.293 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.72 -17.71 63.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 73.43 109.303 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -82.07 -15.83 52.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 73.44 110.271 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -82.86 -13.37 56.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 64.24 110.276 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.464 ' HB2' ' CE ' ' A' ' 65' ' ' MET . 23.3 mtt180 -96.51 -30.17 13.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 42.25 110.317 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.663 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -70.85 -21.29 62.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 62.14 109.338 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -92.99 -37.81 11.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 75.33 109.421 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.35 -40.53 81.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 64.13 109.29 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 50.0 mt -78.53 -19.4 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.082 . . . . 73.24 109.266 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -74.98 -38.54 61.62 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 61.14 109.292 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.574 ' CZ ' ' CD ' ' A' ' 7' ' ' LYS . 1.6 t80 -79.81 -44.65 20.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 74.52 110.908 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.857 ' O ' HG23 ' A' ' 102' ' ' THR . 17.8 mt -48.72 -49.93 35.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 61.35 109.353 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 57.5 tttm -56.34 -43.5 79.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 74.1 109.326 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -72.89 -19.07 61.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 72.11 109.291 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.499 ' HB1' ' HB ' ' A' ' 20' ' ' VAL . . . -79.03 -38.19 37.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 75.14 109.333 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 98' ' ' LEU . 18.8 p -77.86 -45.77 23.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 73.13 110.461 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -41.04 -67.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 70.44 109.356 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 74.3 110.353 179.956 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.772 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.994 -0.842 . . . . 52.2 110.994 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -48.28 118.02 2.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 0.757 . . . . 63.42 109.279 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.0 OUTLIER -79.08 -41.36 23.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 75.34 109.327 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.9 mp0 -45.28 -52.79 9.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 73.12 110.274 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.656 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.8 mptp? -52.5 -32.44 40.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 75.51 109.322 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -88.76 -20.47 47.18 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.439 1.087 . . . . 72.04 110.97 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.572 ' O ' HD12 ' A' ' 11' ' ' ILE . 9.1 ttpp -72.65 -33.02 66.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 0.758 . . . . 74.43 109.279 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -87.36 -25.34 23.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 60.43 109.305 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 5' ' ' LYS . 72.8 mt -83.37 -30.16 8.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 74.32 109.299 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.846 ' CE1' HD21 ' A' ' 98' ' ' LEU . 37.9 t80 -77.49 -23.48 50.3 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.463 1.102 . . . . 72.24 111.033 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.572 HD12 ' O ' ' A' ' 7' ' ' LYS . 64.5 mt -86.73 -55.47 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 74.44 109.298 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 20.1 mtm -57.38 -16.36 8.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 65.42 111.02 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.579 ' HE2' HG23 ' A' ' 9' ' ' ILE . 34.1 mttm -114.33 -36.61 4.6 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.443 1.089 . . . . 64.41 109.298 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -130.11 79.78 1.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 32.54 108.302 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.552 ' HB3' HG23 ' A' ' 11' ' ' ILE . 2.4 p -120.06 141.05 50.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 63.31 110.041 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 43.32 41.41 3.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 65.25 110.289 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.15 -49.76 0.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 75.41 108.27 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.415 ' C ' HG23 ' A' ' 19' ' ' THR . 6.8 m-70 -100.77 -176.73 3.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 64.33 109.547 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.415 HG23 ' C ' ' A' ' 18' ' ' HIS . 20.2 p -153.12 138.22 17.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 63.55 110.436 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.5 m -118.98 -42.98 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.384 1.052 . . . . 62.12 109.305 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -50.62 148.55 3.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 55.24 110.375 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -78.8 -42.84 26.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 73.14 109.234 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.25 55.86 4.55 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.517 1.136 . . . . 60.4 111.031 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -137.07 161.88 25.22 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.995 -0.842 . . . . 42.54 110.995 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -85.24 176.35 8.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 63.34 109.293 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -94.91 84.12 4.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 74.52 109.597 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 29' ' ' GLY . 21.8 mmmt -53.53 -175.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 74.23 109.252 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.9 m -38.83 -31.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 61.25 110.417 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -116.09 163.09 12.41 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 73.33 111.007 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 151.48 39.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 64.11 110.971 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.627 ' C ' HD13 ' A' ' 32' ' ' LEU . 26.9 t-20 -81.07 151.86 28.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 54.23 109.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.783 ' O ' HG22 ' A' ' 102' ' ' THR . 0.2 OUTLIER -116.42 94.08 4.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 74.54 109.24 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -108.18 -53.5 2.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 64.43 109.57 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.433 ' HA3' HH21 ' A' ' 38' ' ' ARG . . . -102.15 25.14 28.82 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.108 . . . . 75.21 110.957 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.771 HD21 HD11 ' A' ' 64' ' ' LEU . 12.3 tp -40.53 -58.85 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.754 . . . . 70.13 109.279 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 99' ' ' LYS . 51.2 m-85 -79.53 81.39 5.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 61.41 111.103 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.98 -10.5 3.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.4 1.062 . . . . 44.23 111.026 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.433 HH21 ' HA3' ' A' ' 34' ' ' GLY . 36.8 ttm-85 -108.61 127.4 53.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 74.14 110.345 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.1 -171.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 65.41 109.296 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.754 HG22 ' NE1' ' A' ' 59' ' ' TRP . 2.3 p -104.51 111.4 24.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 75.44 110.332 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.45 44.84 2.45 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.528 1.143 . . . . 62.5 111.009 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.419 ' N ' ' CD ' ' A' ' 42' ' ' GLN . 3.0 mm100 -113.21 -17.56 12.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 0.78 . . . . 74.22 110.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.795 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -39.52 99.9 0.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 70.23 109.307 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.5 Cg_endo -74.94 -0.15 9.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 70.11 110.958 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.09 -14.86 15.7 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.574 1.171 . . . . 63.41 111.041 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.598 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 15.2 t80 -165.46 124.58 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 73.2 110.978 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 57.8 m -94.51 141.63 28.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 74.42 110.01 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.795 ' OH ' ' HB2' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -95.08 -174.77 3.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 74.5 110.993 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.456 HG23 ' CD ' ' A' ' 79' ' ' LYS . 2.7 p -52.86 179.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 65.43 110.449 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.59 6.13 39.56 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.433 1.083 . . . . 65.45 109.292 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.62 -49.86 4.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.395 1.059 . . . . 73.13 109.31 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -69.71 -47.94 61.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 72.12 109.311 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -51.9 -30.92 26.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 75.03 109.296 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -71.43 -31.76 67.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 64.31 109.243 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.3 tptp -55.82 138.82 47.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 71.13 109.263 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.407 ' C ' HG23 ' A' ' 57' ' ' ILE . . . -135.1 72.13 0.47 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 74.1 110.976 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.407 HG23 ' C ' ' A' ' 56' ' ' GLY . 2.4 pp -151.29 142.72 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.78 . . . . 74.01 109.311 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.0 mm -79.26 126.47 39.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 71.13 109.239 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.754 ' NE1' HG22 ' A' ' 40' ' ' THR . 21.2 m95 -61.68 148.21 43.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 75.24 107.96 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -157.18 -156.47 7.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 64.1 111.007 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.6 mp0 -83.78 -47.89 10.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 0.795 . . . . 64.13 110.315 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -65.11 -58.76 5.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 64.11 109.249 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.8 p -47.94 -38.8 17.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 73.22 110.364 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.771 HD11 HD21 ' A' ' 35' ' ' LEU . 29.4 mt -75.99 -32.54 59.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 75.52 109.311 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.9 tpt -53.66 -58.23 7.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 75.32 110.963 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -67.16 -51.07 58.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 74.21 110.304 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.517 ' HB2' ' CD2' ' A' ' 74' ' ' TYR . 56.3 t80 -49.9 -69.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 73.53 111.006 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -42.26 -51.23 4.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 71.44 109.279 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -47.81 -44.85 29.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 72.12 110.32 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -165.71 87.3 0.95 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 62.35 109.309 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.443 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.6 Cg_endo -74.93 -13.48 21.56 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.531 1.806 . . . . 74.42 110.993 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -64.51 -15.98 61.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 72.43 109.326 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.28 -33.68 7.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 55.5 109.262 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.517 ' CD2' ' HB2' ' A' ' 67' ' ' TYR . 2.1 t80 -66.65 -41.46 88.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 73.43 111.022 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.0 mt -134.92 86.19 33.17 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 71.04 109.342 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 109.03 2.85 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.559 1.821 . . . . 75.43 111.019 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 127.3 -17.14 6.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.486 1.116 . . . . 61.2 110.972 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.0 t -47.04 168.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 0.736 . . . . 74.51 110.386 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.456 ' CD ' HG23 ' A' ' 49' ' ' THR . 7.9 pttt -120.93 38.94 3.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 61.34 109.354 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.8 ttt -103.33 119.26 38.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 75.05 110.979 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.2 mm -81.17 113.47 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 73.13 109.235 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.467 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 7.3 t80 -170.16 165.5 9.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 64.53 111.002 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 32.8 m -110.4 -44.21 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 72.2 109.311 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.467 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 118.1 161.09 11.81 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.46 1.1 . . . . 44.21 110.955 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.451 HG22 ' N ' ' A' ' 86' ' ' LYS . 18.5 mt -102.61 163.79 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 73.43 109.326 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.451 ' N ' HG22 ' A' ' 85' ' ' ILE . 1.2 ttmp? -110.28 -73.81 0.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 72.24 109.331 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -46.9 116.01 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 71.11 109.319 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? -60.91 -50.0 75.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 73.43 109.336 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.454 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 24.5 mt-10 -49.05 -41.75 36.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 73.44 110.319 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.5 ' HG2' HD13 ' A' ' 9' ' ' ILE . 11.0 tt0 -56.1 -39.94 72.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 64.24 110.288 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 84.6 mtm-85 -66.59 -23.08 66.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 42.25 110.375 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 89' ' ' GLU . . . -74.01 -51.25 16.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 62.14 109.37 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 94' ' ' LEU . 1.3 p30 -57.85 -29.76 65.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 75.33 109.294 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.477 HD12 HG22 ' A' ' 9' ' ' ILE . 1.7 tt -80.8 -41.1 23.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.587 1.18 . . . . 64.13 109.377 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 61.1 mt -74.22 -16.42 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 73.24 109.329 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 92' ' ' ALA . . . -79.67 -30.57 41.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 61.14 109.285 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.568 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 3.2 t80 -88.59 -54.01 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 74.52 110.983 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.951 ' O ' HG23 ' A' ' 102' ' ' THR . 14.1 mt -48.78 -36.02 15.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 61.35 109.338 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 56.3 tttp -69.98 -40.61 75.26 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.43 1.081 . . . . 74.1 109.302 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -77.19 -15.03 59.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 72.11 109.32 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -84.56 -39.94 18.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 75.14 109.293 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.951 HG23 ' O ' ' A' ' 98' ' ' LEU . 51.9 p -79.29 -35.47 41.23 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 73.13 110.424 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -69.58 -60.84 2.06 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.089 . . . . 70.44 109.351 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 74.3 110.316 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.779 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.974 -0.85 . . . . 52.2 110.974 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -75.81 142.62 42.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 0.807 . . . . 63.42 109.347 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.697 HG11 ' CE ' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -79.07 -36.97 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 75.34 109.288 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 7' ' ' LYS . 36.2 mt-10 -47.57 -58.1 4.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 73.12 110.313 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.847 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.4 mptm? -49.11 -25.27 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 75.51 109.299 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 10' ' ' PHE . . . -94.33 -24.6 18.51 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.12 . . . . 72.04 110.973 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.561 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 25.5 tttt -74.97 -30.79 61.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 0.743 . . . . 74.43 109.345 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -83.96 -30.67 26.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 60.43 109.354 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.847 HD12 ' O ' ' A' ' 5' ' ' LYS . 60.4 mt -84.76 -23.24 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 74.32 109.307 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.49 ' CB ' ' O ' ' A' ' 6' ' ' GLY . 21.1 t80 -75.92 -20.6 57.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 72.24 111.013 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.483 HG23 ' HB2' ' A' ' 15' ' ' SER . 63.0 mt -82.97 -62.89 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 74.44 109.266 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -20.25 13.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.152 . . . . 65.42 111.032 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 9' ' ' ILE . 5.3 mmpt? -103.95 -35.07 8.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 64.41 109.286 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -137.12 81.05 1.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 32.54 108.329 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.483 ' HB2' HG23 ' A' ' 11' ' ' ILE . 2.4 t -119.92 140.56 50.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 63.31 109.981 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 54.76 29.3 11.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 65.25 110.312 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.0 m -133.18 -57.73 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 75.41 108.329 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.495 ' HD1' HD21 ' A' ' 32' ' ' LEU . 74.0 m-70 -103.11 161.37 13.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 64.33 109.616 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.701 ' O ' HG22 ' A' ' 20' ' ' VAL . 72.7 p -119.35 -39.59 2.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 63.55 110.343 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.989 HG12 HD23 ' A' ' 32' ' ' LEU . 9.3 m 49.26 27.33 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.075 . . . . 62.12 109.26 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.422 ' CG ' ' HB ' ' A' ' 19' ' ' THR . 2.8 pt-20 -129.84 126.29 37.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 55.24 110.272 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.484 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 18.4 pttm -76.78 103.08 6.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.085 . . . . 73.14 109.345 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.93 -25.19 2.68 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.429 1.081 . . . . 60.4 111.012 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.74 157.31 47.22 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.053 -0.819 . . . . 42.54 111.053 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.25 173.65 7.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.452 0.737 . . . . 63.34 109.313 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -89.86 75.6 7.25 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.559 1.162 . . . . 74.52 109.564 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.434 ' C ' ' N ' ' A' ' 29' ' ' GLY . 12.5 mtmt -53.27 -175.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.599 1.187 . . . . 74.23 109.231 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 m -38.79 -29.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 61.25 110.434 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.434 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . -115.53 159.42 13.81 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 73.33 110.985 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 149.47 36.99 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.525 1.803 . . . . 64.11 111.054 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.766 ' O ' HD13 ' A' ' 32' ' ' LEU . 3.7 t-20 -76.13 164.18 26.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 54.23 109.261 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.989 HD23 HG12 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -128.93 100.62 5.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 74.54 109.302 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.494 ' O ' ' CA ' ' A' ' 102' ' ' THR . 0.4 OUTLIER -111.55 -71.46 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 64.43 109.615 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.445 ' H ' HH21 ' A' ' 38' ' ' ARG . . . -102.09 28.06 17.6 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.499 1.125 . . . . 75.21 110.964 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 34' ' ' GLY . 3.9 tp -40.51 -46.89 2.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 70.13 109.333 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 99' ' ' LYS . 9.4 m-85 -78.03 82.35 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 61.41 111.009 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.18 -12.62 3.05 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.484 1.115 . . . . 44.23 111.001 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.445 HH21 ' H ' ' A' ' 34' ' ' GLY . 8.6 ptp180 -97.11 152.16 19.06 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.516 0.774 . . . . 74.14 110.279 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -80.99 170.19 16.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 65.41 109.34 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.2 p -76.18 109.76 10.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 75.44 110.418 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.444 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 88.64 50.17 3.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 62.5 110.998 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 43' ' ' ALA . 46.6 mm-40 -114.15 -14.56 12.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 0.742 . . . . 74.22 110.319 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.69 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -39.59 99.97 0.21 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 70.23 109.265 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.4 Cg_endo -75.0 73.24 4.39 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 70.11 111.015 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.48 -49.74 0.2 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.532 1.145 . . . . 63.41 110.935 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -121.94 81.97 1.89 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.476 0.75 . . . . 73.2 111.058 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.4 p -55.85 130.17 42.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 74.42 110.042 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.69 ' OH ' ' HB2' ' A' ' 43' ' ' ALA . 6.3 m-30 -80.32 -175.02 4.89 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.481 1.113 . . . . 74.5 110.955 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 36.7 p -72.38 -179.46 2.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 65.43 110.367 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.19 12.58 13.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 65.45 109.326 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.534 ' HB1' HG22 ' A' ' 75' ' ' ILE . . . -96.61 -38.9 9.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 73.13 109.324 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.499 ' OD1' ' CD1' ' A' ' 75' ' ' ILE . 2.2 t30 -100.75 -19.53 15.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 72.12 109.332 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.0 tttp -76.41 -29.26 57.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 75.03 109.273 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 14.3 p30 -71.98 -27.01 62.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 64.31 109.344 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.464 ' HE3' ' CE1' ' A' ' 74' ' ' TYR . 13.1 mmtt -55.56 156.68 4.49 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 71.13 109.32 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -138.19 16.75 3.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 74.1 110.941 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.516 HD12 ' N ' ' A' ' 58' ' ' ILE . 2.2 pp -90.55 178.98 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.433 0.725 . . . . 74.01 109.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.516 ' N ' HD12 ' A' ' 57' ' ' ILE . 30.7 mm -116.12 134.26 60.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 71.13 109.357 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 28.4 m95 -72.75 89.89 1.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 75.24 107.981 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.488 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -116.37 -147.88 8.92 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 64.1 111.075 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -89.56 -59.68 2.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 64.13 110.288 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -50.57 -44.23 56.64 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.525 1.14 . . . . 64.11 109.269 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.464 HG21 ' O ' ' A' ' 58' ' ' ILE . 27.7 p -65.0 -58.46 6.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 73.22 110.358 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.488 HD12 ' O ' ' A' ' 60' ' ' GLY . 17.7 mt -42.87 -47.86 5.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 75.52 109.32 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.424 ' CE ' ' HB3' ' A' ' 91' ' ' ARG . 2.6 tpt -46.36 -68.27 0.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 75.32 110.973 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 69' ' ' GLU . 2.0 tp10 -43.42 -57.85 2.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.085 . . . . 74.21 110.27 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.589 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 2.5 t80 -48.39 -42.84 33.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 73.53 111.025 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.708 HD12 HD11 ' A' ' 95' ' ' ILE . 64.3 mt -65.32 -28.21 69.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 71.44 109.31 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 66' ' ' GLU . 23.8 tt0 -78.52 -35.93 45.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 72.12 110.248 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -164.52 82.5 1.27 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 62.35 109.333 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.589 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.1 Cg_endo -74.97 -10.64 21.35 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.456 1.766 . . . . 74.42 110.981 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.423 ' HZ3' ' HB3' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -77.08 -47.69 19.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 72.43 109.299 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.4 ttmt -65.63 -44.46 86.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 55.5 109.25 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.486 ' OH ' ' CD1' ' A' ' 57' ' ' ILE . 1.6 t80 -48.17 -51.37 25.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 73.43 110.947 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.534 HG22 ' HB1' ' A' ' 51' ' ' ALA . 5.8 mt -135.65 90.33 20.01 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.451 1.094 . . . . 71.04 109.369 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 98.69 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.518 1.799 . . . . 75.43 111.036 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 133.82 -16.54 4.49 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.543 1.152 . . . . 61.2 110.945 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 75' ' ' ILE . 3.2 t -44.08 164.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 0.802 . . . . 74.51 110.445 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? -93.99 17.26 12.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 61.34 109.255 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.436 ' CE ' ' OH ' ' A' ' 67' ' ' TYR . 11.2 tpp -76.06 144.81 40.55 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.585 1.178 . . . . 75.05 110.91 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.441 HD12 ' CBC' ' A' ' 500' ' ' HEC . 29.3 mt -118.33 74.5 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 73.13 109.317 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -155.35 173.95 15.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 64.53 110.971 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.2 m -118.64 -45.72 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 72.2 109.231 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 138.67 162.65 9.25 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 44.21 111.002 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.8 mt -103.81 152.11 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.411 0.712 . . . . 73.43 109.284 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.6 tptp -95.07 -75.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 72.24 109.316 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -40.56 141.55 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 71.11 109.352 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -78.04 -42.64 31.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 73.43 109.338 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -55.95 -60.79 2.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 73.44 110.308 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.604 ' HG3' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -38.65 -38.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 64.24 110.25 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.424 ' HB3' ' CE ' ' A' ' 65' ' ' MET . 52.6 mtm180 -74.05 -54.9 6.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 42.25 110.312 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -48.8 -58.76 4.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 62.14 109.276 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 96' ' ' ALA . 71.9 m-20 -50.59 -56.77 10.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 75.33 109.293 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.4 tp -48.85 -34.79 13.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 64.13 109.284 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.708 HD11 HD12 ' A' ' 68' ' ' LEU . 43.2 mt -75.67 -34.88 29.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 73.24 109.314 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -57.34 -24.6 56.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 61.14 109.395 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.561 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 1.2 t80 -97.96 -37.97 9.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 74.52 111.028 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.496 HD11 HMB3 ' A' ' 500' ' ' HEC . 15.3 mt -72.22 -15.23 61.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 61.35 109.352 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.532 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 66.2 tttt -96.04 -22.32 17.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.593 1.183 . . . . 74.1 109.222 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.697 ' CE ' HG11 ' A' ' 3' ' ' VAL . 18.5 ttpp -98.02 -18.81 18.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 72.11 109.268 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.457 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -79.71 -29.14 40.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 75.14 109.315 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.494 ' CA ' ' O ' ' A' ' 33' ' ' HIS . 46.2 p -104.04 33.1 3.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.404 1.065 . . . . 73.13 110.45 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -124.07 -50.67 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 70.44 109.319 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 74.3 110.342 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.797 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.012 -0.835 . . . . 52.2 111.012 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -50.76 169.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 63.42 109.326 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.86 HG12 ' HA ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -117.28 -52.12 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 75.34 109.262 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -40.56 -44.97 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 73.12 110.289 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.675 ' O ' HD12 ' A' ' 9' ' ' ILE . 2.7 mmmp? -55.77 -47.05 77.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 75.51 109.297 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.479 ' O ' ' CB ' ' A' ' 10' ' ' PHE . . . -79.02 -12.65 83.88 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.524 1.14 . . . . 72.04 111.001 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.574 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 16.5 tptm -72.91 -72.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 74.43 109.284 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -52.36 -36.05 52.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 60.43 109.304 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.675 HD12 ' O ' ' A' ' 5' ' ' LYS . 96.7 mt -66.91 -43.61 89.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 74.32 109.312 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 1.157 ' CE1' HD21 ' A' ' 98' ' ' LEU . 29.9 t80 -66.95 -27.51 67.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 72.24 110.997 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.536 HG23 ' HB2' ' A' ' 15' ' ' SER . 48.2 mt -82.83 -70.24 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 74.44 109.328 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.4 mmt -42.19 -27.08 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 65.42 110.994 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -101.69 -37.38 8.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 64.41 109.294 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -133.03 82.95 2.02 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.156 . . . . 32.54 108.284 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.536 ' HB2' HG23 ' A' ' 11' ' ' ILE . 42.8 t -123.32 150.26 43.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 63.31 110.035 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 41.47 36.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 65.25 110.325 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.87 -61.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 75.41 108.3 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -88.21 -178.34 5.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 64.33 109.618 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 31' ' ' ASN . 3.0 p -146.53 143.39 28.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.153 . . . . 63.55 110.331 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.0 m -124.61 -44.48 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 62.12 109.373 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -52.97 152.53 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 55.24 110.29 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -88.02 -17.98 29.98 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.563 1.164 . . . . 73.14 109.331 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.28 42.41 1.93 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.565 1.166 . . . . 60.4 110.975 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -131.01 162.23 23.54 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.955 -0.858 . . . . 42.54 110.955 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.1 pttm -88.56 -175.77 5.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 0.785 . . . . 63.34 109.276 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -94.11 79.22 4.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 74.52 109.55 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.41 ' C ' ' N ' ' A' ' 29' ' ' GLY . 16.5 mtpt -53.93 -174.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 74.23 109.285 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.7 m -39.33 -30.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 61.25 110.427 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.41 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . -120.28 157.35 15.74 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.517 1.135 . . . . 73.33 110.965 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 151.78 39.86 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.497 1.788 . . . . 64.11 111.002 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' A' ' 19' ' ' THR . 6.2 t-20 -71.83 136.64 47.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 54.23 109.281 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.468 ' CB ' HG21 ' A' ' 102' ' ' THR . 1.0 OUTLIER -77.7 -13.64 59.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 74.54 109.301 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 32' ' ' LEU . 6.8 t-80 -39.98 -37.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 64.43 109.649 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -100.83 47.92 1.19 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 75.21 110.997 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.683 HD21 HD11 ' A' ' 64' ' ' LEU . 14.2 tp -95.33 -75.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 0.736 . . . . 70.13 109.295 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.596 ' CE1' HD23 ' A' ' 35' ' ' LEU . 68.8 m-85 -68.38 118.96 12.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 61.41 111.008 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.13 16.8 36.79 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.482 1.113 . . . . 44.23 111.051 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.1 ttm-85 -139.54 159.0 43.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 0.749 . . . . 74.14 110.299 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -96.73 -174.23 2.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 65.41 109.26 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.0 p -88.29 132.32 34.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 75.44 110.345 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.95 48.26 12.01 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.388 1.055 . . . . 62.5 111.014 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 43' ' ' ALA . 79.6 mm-40 -110.34 -35.61 6.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 0.756 . . . . 74.22 110.304 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.545 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -39.57 99.9 0.2 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 70.23 109.203 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.4 Cg_endo -74.98 -7.0 18.78 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.495 1.787 . . . . 70.11 111.011 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -94.65 -4.97 61.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 63.41 110.947 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -168.24 111.34 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 73.2 110.987 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.8 p -79.63 121.52 25.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 74.42 109.986 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.545 ' OH ' ' HB2' ' A' ' 43' ' ' ALA . 5.5 m-30 -74.18 -175.02 2.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 74.5 110.976 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.641 HG23 ' HE2' ' A' ' 79' ' ' LYS . 7.0 p -70.56 175.57 4.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 65.43 110.383 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.16 -16.09 57.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 65.45 109.365 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.542 ' HB1' ' O ' ' A' ' 76' ' ' PRO . . . -76.03 -27.74 57.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 73.13 109.315 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 55' ' ' LYS . 2.1 t30 -98.22 -47.73 5.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 72.12 109.322 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -44.1 -30.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 75.03 109.341 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -71.39 -49.87 37.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 64.31 109.316 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.3 OUTLIER -47.56 138.54 7.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.401 1.063 . . . . 71.13 109.267 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -141.5 73.68 0.37 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.53 1.144 . . . . 74.1 111.022 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.403 HD12 ' O ' ' A' ' 58' ' ' ILE . 2.3 pp -142.02 159.77 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.753 . . . . 74.01 109.248 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.403 ' O ' HD12 ' A' ' 57' ' ' ILE . 3.6 mm -85.79 152.96 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 71.13 109.28 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.527 ' CD1' HD12 ' A' ' 35' ' ' LEU . 38.6 m95 -96.67 96.68 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.972 -1.121 . . . . 75.24 107.972 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.557 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -108.35 -172.34 21.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 64.1 111.044 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.486 ' O ' ' CG ' ' A' ' 65' ' ' MET . 29.7 mt-10 -82.42 -15.3 53.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.777 . . . . 64.13 110.336 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -89.39 -42.52 11.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 64.11 109.35 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.0 p -73.76 -30.29 62.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 73.22 110.402 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.683 HD11 HD21 ' A' ' 35' ' ' LEU . 37.8 mt -79.83 -17.97 51.97 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.587 1.179 . . . . 75.52 109.303 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.486 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 2.9 mmt -77.11 -27.43 54.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 75.32 111.029 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -96.15 -34.71 11.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 74.21 110.293 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 4.0 t80 -66.14 -35.51 80.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 73.53 111.036 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.049 HD12 HD11 ' A' ' 95' ' ' ILE . 7.8 mt -67.5 -29.89 69.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 71.44 109.221 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -66.69 -40.44 88.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 72.12 110.318 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -163.95 79.62 1.5 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 62.35 109.348 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.01 -11.04 21.45 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.502 1.791 . . . . 74.42 110.997 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.463 ' HA ' ' CE ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER -67.89 -15.87 63.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 72.43 109.341 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.95 -53.67 2.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 55.5 109.29 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.409 ' CD2' ' HB2' ' A' ' 67' ' ' TYR . 1.8 t80 -42.08 -32.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 73.43 111.035 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.421 HG22 ' HB ' ' A' ' 78' ' ' THR . 5.3 mm -134.98 89.93 23.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 71.04 109.284 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.542 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 18.2 Cg_endo -75.01 104.55 1.92 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.443 1.76 . . . . 75.43 110.957 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.02 43.46 1.64 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.551 1.157 . . . . 61.2 111.023 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.502 HG23 ' HB2' ' A' ' 80' ' ' MET . 6.3 t -102.67 157.25 17.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 74.51 110.388 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.641 ' HE2' HG23 ' A' ' 49' ' ' THR . 27.8 mttm -77.67 -16.5 58.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.417 1.073 . . . . 61.34 109.312 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.502 ' HB2' HG23 ' A' ' 78' ' ' THR . 45.0 mmm -42.87 148.33 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 75.05 111.049 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.417 HD13 ' O ' ' A' ' 80' ' ' MET . 5.6 mm -132.59 52.89 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 73.13 109.325 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.504 ' CE1' ' CBB' ' A' ' 500' ' ' HEC . 10.2 t80 -109.99 177.84 4.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.12 . . . . 64.53 110.985 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.2 m -123.43 -45.17 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 72.2 109.259 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 131.57 162.69 10.6 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.498 1.124 . . . . 44.21 110.994 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 82.4 mt -116.31 144.07 24.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.554 0.796 . . . . 73.43 109.316 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -92.79 -38.56 11.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 72.24 109.358 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -73.75 126.64 30.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 71.11 109.338 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -75.54 -37.26 60.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 73.43 109.238 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -60.06 -52.66 64.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 73.44 110.319 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -48.78 -37.37 18.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 64.24 110.293 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.462 ' HB3' ' CE ' ' A' ' 65' ' ' MET . 58.3 mtm180 -71.53 -39.58 70.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 42.25 110.328 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.14 -63.23 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.577 1.173 . . . . 62.14 109.345 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.545 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 0.4 OUTLIER -51.68 -40.27 59.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 75.33 109.334 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.646 ' CD1' HD12 ' A' ' 98' ' ' LEU . 2.2 tm? -55.24 -59.64 4.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 64.13 109.321 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 1.049 HD11 HD12 ' A' ' 68' ' ' LEU . 16.6 mt -67.33 -15.84 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 73.24 109.302 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -72.42 -36.98 68.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 61.14 109.278 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.86 ' HA ' HG12 ' A' ' 3' ' ' VAL . 2.1 t80 -89.13 -48.13 7.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 74.52 111.006 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.157 HD21 ' CE1' ' A' ' 10' ' ' PHE . 15.1 mt -54.0 -23.75 14.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 61.35 109.281 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.545 ' HG3' ' CE1' ' A' ' 36' ' ' PHE . 56.2 tttm -82.23 -52.55 6.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 74.1 109.297 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -63.44 -18.23 63.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.425 1.078 . . . . 72.11 109.255 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -85.94 -29.59 23.46 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.537 1.148 . . . . 75.14 109.234 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 98' ' ' LEU . 70.5 p -109.88 19.51 19.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 73.13 110.354 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -108.69 -31.72 7.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 70.44 109.353 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 74.3 110.242 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.801 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.418 ' O ' ' HB1' ' A' ' 96' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.028 -0.829 . . . . 52.2 111.028 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.62 162.96 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 0.749 . . . . 63.42 109.27 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.792 HG23 ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -111.28 -41.42 4.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 75.34 109.309 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -49.87 -52.98 28.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 73.12 110.319 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.458 ' O ' HD12 ' A' ' 9' ' ' ILE . 7.1 mmmm -53.62 -23.65 11.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 75.51 109.318 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.17 -21.71 19.48 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.475 1.109 . . . . 72.04 110.917 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.559 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 18.1 ttpp -74.68 -22.1 59.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 74.43 109.322 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.531 ' HZ2' ' HB3' ' A' ' 8' ' ' LYS . 1.3 mmmp? -86.98 -43.59 12.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 60.43 109.391 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.568 HG23 ' NZ ' ' A' ' 13' ' ' LYS . 46.3 mt -73.49 -10.32 13.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 74.32 109.342 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.429 ' O ' ' CA ' ' A' ' 14' ' ' CYS . 11.5 t80 -87.49 -26.46 23.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 72.24 111.07 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.499 ' O ' ' CB ' ' A' ' 15' ' ' SER . 82.1 mt -84.05 -70.14 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 74.44 109.333 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.5 mtp -37.94 -30.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 65.42 110.989 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.568 ' NZ ' HG23 ' A' ' 9' ' ' ILE . 2.6 mttp -102.64 -62.22 1.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 64.41 109.271 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.429 ' CA ' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -98.22 65.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.589 1.181 . . . . 32.54 108.32 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.4 p -102.69 132.77 48.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 63.31 110.063 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 39.95 36.42 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 65.25 110.201 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.82 -47.03 1.39 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 75.41 108.292 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.584 ' ND1' HD11 ' A' ' 32' ' ' LEU . 6.6 m-70 -106.79 175.12 5.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 64.33 109.571 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.605 HG21 ' O ' ' A' ' 25' ' ' LYS . 9.6 p -146.98 144.57 29.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 63.55 110.417 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.8 m -126.37 -44.93 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 62.12 109.3 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' A' ' 24' ' ' GLY . 3.4 pt-20 -56.48 151.67 12.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 55.24 110.309 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -59.55 -45.31 92.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 73.14 109.29 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.26 -5.33 58.97 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.103 . . . . 60.4 111.003 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.42 ' N ' ' CG ' ' A' ' 21' ' ' GLU . . . -68.26 98.59 0.52 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.025 -0.83 . . . . 42.54 111.025 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.605 ' O ' HG21 ' A' ' 19' ' ' THR . 0.0 OUTLIER -71.04 162.05 30.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 0.773 . . . . 63.34 109.291 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -81.67 133.8 35.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 74.52 109.625 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 mtmm -131.55 -103.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 74.23 109.284 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.7 m -72.3 -40.63 67.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.565 1.166 . . . . 61.25 110.449 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -127.83 165.07 21.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.587 1.179 . . . . 73.33 110.997 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.401 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 18.1 Cg_endo -74.96 149.67 37.23 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.504 1.791 . . . . 64.11 111.017 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -72.49 147.45 46.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 54.23 109.278 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.777 HD23 HD13 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -116.29 93.88 4.41 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.556 1.16 . . . . 74.54 109.354 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -106.98 -46.11 4.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 64.43 109.573 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -102.06 25.57 27.35 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.41 1.069 . . . . 75.21 111.054 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.777 HD13 HD23 ' A' ' 32' ' ' LEU . 19.5 tp -40.45 -62.28 0.79 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.473 0.749 . . . . 70.13 109.345 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.649 ' CZ ' ' CB ' ' A' ' 99' ' ' LYS . 13.2 m-85 -79.5 94.38 5.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.069 . . . . 61.41 110.946 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.17 30.99 2.14 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.458 1.099 . . . . 44.23 110.969 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.445 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 33.9 ttp180 -144.67 162.65 36.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 0.791 . . . . 74.14 110.292 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.455 ' HD3' ' CD1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -94.83 -178.28 4.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 65.41 109.263 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.697 HG22 ' NE1' ' A' ' 59' ' ' TRP . 2.4 p -90.34 141.68 28.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 75.44 110.388 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.557 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 64.4 66.71 2.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.485 1.116 . . . . 62.5 110.952 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 43' ' ' ALA . 84.6 mm-40 -115.95 -36.12 4.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 74.22 110.294 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.453 ' CB ' ' OH ' ' A' ' 48' ' ' TYR . . . -39.51 99.91 0.2 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 70.23 109.307 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.6 Cg_endo -74.96 -0.41 9.92 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.463 1.77 . . . . 70.11 111.029 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.68 -6.11 35.57 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 63.41 110.992 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.494 ' O ' ' CE1' ' A' ' 48' ' ' TYR . 18.8 t80 -159.35 112.81 2.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 0.798 . . . . 73.2 110.987 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.8 p -90.28 139.69 30.41 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.466 1.104 . . . . 74.42 109.99 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.62 ' CD1' ' N ' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -99.71 -175.14 2.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 74.5 111.038 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.7 p -55.3 176.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 65.43 110.394 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.68 12.58 14.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 65.45 109.336 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.67 -45.35 6.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 73.13 109.287 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.41 ' O ' ' N ' ' A' ' 55' ' ' LYS . 7.4 t30 -83.79 -47.19 11.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 72.12 109.288 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -46.44 -35.54 5.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 75.03 109.296 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -75.62 -39.55 57.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 64.31 109.331 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 52' ' ' ASN . 9.9 tptt -45.88 140.22 3.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 71.13 109.303 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.38 77.01 0.33 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.574 1.171 . . . . 74.1 111.016 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.594 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.4 pp -143.32 151.0 17.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 0.76 . . . . 74.01 109.321 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.455 ' CD1' ' HD3' ' A' ' 39' ' ' LYS . 2.3 mm -84.82 131.66 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.152 . . . . 71.13 109.224 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.697 ' NE1' HG22 ' A' ' 40' ' ' THR . 18.9 m95 -77.08 153.9 33.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.546 1.154 . . . . 75.24 108.018 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.621 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -173.67 -148.75 6.58 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.44 1.088 . . . . 64.1 111.017 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 65' ' ' MET . 30.0 mt-10 -87.51 -58.18 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 0.783 . . . . 64.13 110.323 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -58.88 -45.4 90.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 64.11 109.275 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.408 ' OG1' ' N ' ' A' ' 60' ' ' GLY . 13.7 p -60.51 -27.87 67.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 73.22 110.419 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.621 HD12 ' O ' ' A' ' 60' ' ' GLY . 77.6 mt -92.85 -19.23 21.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 75.52 109.325 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.676 ' HE3' HD12 ' A' ' 95' ' ' ILE . 2.4 tpt -68.43 -37.89 80.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 75.32 110.968 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -84.49 -38.54 19.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 74.21 110.273 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.609 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 8.0 t80 -60.06 -47.08 87.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 73.53 110.995 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.418 HD12 HD11 ' A' ' 95' ' ' ILE . 13.0 mt -56.52 -41.52 76.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 71.44 109.294 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -59.16 -43.1 92.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 72.12 110.315 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -163.63 88.64 1.2 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 62.35 109.305 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.609 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.7 Cg_endo -75.01 -7.25 18.98 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.506 1.793 . . . . 74.42 111.033 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -74.68 -47.85 29.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.086 . . . . 72.43 109.339 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -43.16 98.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 55.5 109.302 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -56.67 -52.29 65.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 73.43 111.056 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.432 ' O ' HG22 ' A' ' 78' ' ' THR . 5.7 mt -133.6 88.7 33.15 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 71.04 109.306 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 110.33 3.1 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.5 1.79 . . . . 75.43 111.004 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.55 -0.22 13.96 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.501 1.125 . . . . 61.2 111.025 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 75' ' ' ILE . 1.7 t -61.08 166.41 3.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.788 . . . . 74.51 110.474 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.488 ' HB2' HMD2 ' A' ' 500' ' ' HEC . 22.7 mtmm -95.69 15.75 19.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 61.34 109.282 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.533 ' CE ' ' NA ' ' A' ' 500' ' ' HEC . 3.5 tpp -76.53 94.68 3.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 75.05 111.051 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.482 HD12 ' N ' ' A' ' 81' ' ' ILE . 1.6 mp -58.8 -17.71 11.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 73.13 109.314 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -53.54 169.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 64.53 110.971 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 84' ' ' GLY . 35.6 m -120.18 -48.5 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 72.2 109.345 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.436 ' N ' HG23 ' A' ' 83' ' ' VAL . . . 141.29 -179.07 19.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.527 1.142 . . . . 44.21 110.994 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 8.0 mt -119.68 157.8 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 73.43 109.328 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.93 -34.64 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 72.24 109.27 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.418 ' CB ' ' OE1' ' A' ' 90' ' ' GLU . 15.4 mmmt -84.12 111.44 19.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 71.11 109.319 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -17.24 64.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 73.43 109.297 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -79.52 -13.57 59.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 73.44 110.278 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.418 ' OE1' ' CB ' ' A' ' 87' ' ' LYS . 0.6 OUTLIER -99.95 -11.29 20.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 64.24 110.264 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.8 mtm-85 -90.66 -32.48 16.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 42.25 110.29 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.64 -16.74 59.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 62.14 109.283 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -93.54 -48.16 6.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 75.33 109.292 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.834 HD21 HBB3 ' A' ' 500' ' ' HEC . 48.7 tp -55.78 -34.12 64.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 64.13 109.292 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.676 HD12 ' HE3' ' A' ' 65' ' ' MET . 80.7 mt -79.93 -40.13 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 73.24 109.281 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 1' ' ' GLY . . . -55.57 -20.65 14.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 61.14 109.289 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.792 ' CD1' HG23 ' A' ' 3' ' ' VAL . 0.6 OUTLIER -92.87 -58.46 2.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 74.52 111.013 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.836 ' O ' HG23 ' A' ' 102' ' ' THR . 11.5 mt -51.09 -30.74 16.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 61.35 109.289 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.649 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 11.9 pttp -69.13 -34.21 74.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.593 1.183 . . . . 74.1 109.368 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -89.08 -16.47 31.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 72.11 109.355 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.513 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -81.39 -40.12 23.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 75.14 109.347 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.836 HG23 ' O ' ' A' ' 98' ' ' LEU . 68.2 p -81.63 -29.92 33.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 73.13 110.374 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -53.22 -55.33 25.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 70.44 109.273 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 74.3 110.333 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.834 HBB3 HD21 ' A' ' 94' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.021 -0.832 . . . . 52.2 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -64.03 167.77 6.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 63.42 109.29 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.822 HG12 ' HA ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -113.08 -51.34 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 75.34 109.312 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -41.42 -48.27 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 73.12 110.283 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.578 ' O ' HD12 ' A' ' 9' ' ' ILE . 6.8 mmtm -52.5 -43.72 65.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 75.51 109.331 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -81.77 -17.15 71.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.541 1.151 . . . . 72.04 110.959 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.562 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -80.9 -27.2 36.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 0.753 . . . . 74.43 109.266 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -85.76 -19.76 30.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 60.43 109.285 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.578 HD12 ' O ' ' A' ' 5' ' ' LYS . 21.8 mt -95.34 -16.25 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 74.32 109.318 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.638 ' CE1' HG13 ' A' ' 20' ' ' VAL . 12.5 t80 -81.75 -28.2 33.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 72.24 111.013 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.497 ' O ' ' CB ' ' A' ' 15' ' ' SER . 74.6 mt -82.13 -75.07 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 74.44 109.289 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.94 -30.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 65.42 110.974 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.458 ' HD2' HG23 ' A' ' 9' ' ' ILE . 9.4 mtpt -99.34 -66.96 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 64.41 109.282 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.483 ' HA ' HMC3 ' A' ' 500' ' ' HEC . 0.3 OUTLIER -92.18 62.28 4.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 32.54 108.213 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 0.5 OUTLIER -98.32 149.08 23.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.113 . . . . 63.31 110.029 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 38.99 34.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 65.25 110.332 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.47 ' SG ' HG21 ' A' ' 28' ' ' THR . 2.4 m -137.84 -51.84 0.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 75.41 108.252 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -116.24 147.46 41.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.412 1.07 . . . . 64.33 109.544 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.698 ' O ' HG22 ' A' ' 20' ' ' VAL . 4.5 p -112.26 -29.66 7.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 63.55 110.418 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.698 HG22 ' O ' ' A' ' 19' ' ' THR . 9.2 m 49.22 26.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 62.12 109.291 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -110.93 138.14 47.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 55.24 110.306 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' HA ' ' CG ' ' A' ' 33' ' ' HIS . 2.1 mtpm? -61.81 -33.07 73.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 73.14 109.293 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.31 -4.9 43.7 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.516 1.135 . . . . 60.4 111.034 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.52 176.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.995 -0.842 . . . . 42.54 110.995 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -122.52 163.53 19.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.544 0.79 . . . . 63.34 109.277 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.4 ' CD2' ' N ' ' A' ' 26' ' ' HIS . 3.6 m-70 -90.72 128.61 36.72 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.478 1.111 . . . . 74.52 109.621 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -125.38 -98.96 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.163 . . . . 74.23 109.296 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.47 HG21 ' SG ' ' A' ' 17' ' ' CYS . 2.5 m -72.55 -28.59 62.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 61.25 110.405 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -143.35 -173.3 14.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.13 . . . . 73.33 111.038 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 151.16 39.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.52 1.8 . . . . 64.11 111.005 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -68.51 129.4 39.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 54.23 109.285 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.468 ' O ' HG22 ' A' ' 102' ' ' THR . 7.1 mp -86.84 78.4 9.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 74.54 109.326 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.4 ' CG ' ' HA ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -114.32 -54.36 2.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 64.43 109.641 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.412 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -102.04 22.56 37.64 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.498 1.124 . . . . 75.21 111.067 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.404 ' HB3' HG21 ' A' ' 102' ' ' THR . 6.8 tp -42.11 -74.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 70.13 109.292 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -62.96 111.05 1.99 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 61.41 110.978 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.96 38.39 4.64 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.519 1.137 . . . . 44.23 111.007 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.412 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 22.1 ttp180 -151.25 107.1 3.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.461 0.742 . . . . 74.14 110.336 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.99 167.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 65.41 109.309 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.1 p -77.11 151.78 35.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 75.44 110.409 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 52.58 57.83 12.89 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.559 1.162 . . . . 62.5 111.025 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 43' ' ' ALA . 18.5 mm100 -111.49 -42.82 3.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 74.22 110.337 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.51 99.87 0.2 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 70.23 109.3 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -75.0 -6.76 18.46 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.484 1.781 . . . . 70.11 111.003 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -94.24 -30.15 8.98 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.441 1.088 . . . . 63.41 110.967 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.403 ' O ' ' CE1' ' A' ' 48' ' ' TYR . 23.1 t80 -140.09 108.8 5.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 0.744 . . . . 73.2 111.009 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.4 p -78.28 145.87 35.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 74.42 110.011 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.527 ' CD1' ' N ' ' A' ' 48' ' ' TYR . 2.2 m-30 -97.7 -173.66 2.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 74.5 111.031 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.459 ' CG2' ' HG2' ' A' ' 79' ' ' LYS . 3.1 p -50.93 175.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 65.43 110.382 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.73 -15.58 32.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.579 1.174 . . . . 65.45 109.261 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.78 -30.1 18.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 73.13 109.255 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.588 ' OD1' HD13 ' A' ' 75' ' ' ILE . 1.9 t30 -78.74 -50.91 10.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 72.12 109.319 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -44.42 -41.56 6.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 75.03 109.339 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -55.77 -45.97 78.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 64.31 109.328 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 52' ' ' ASN . 11.6 tptt -47.88 142.19 5.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 71.13 109.31 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.31 80.38 0.25 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.545 1.153 . . . . 74.1 110.983 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.8 pp -145.37 169.69 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 0.782 . . . . 74.01 109.28 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.9 mm -105.5 138.55 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 71.13 109.285 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -78.16 155.54 30.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 75.24 107.979 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.585 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -170.46 -158.73 14.87 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.541 1.15 . . . . 64.1 110.967 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -82.02 -37.8 25.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.76 . . . . 64.13 110.353 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -75.6 -59.71 2.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 64.11 109.285 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.401 ' H ' HG23 ' A' ' 63' ' ' THR . 72.5 p -47.74 -26.01 1.43 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 73.22 110.321 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.585 HD12 ' O ' ' A' ' 60' ' ' GLY . 32.8 mt -87.26 -38.97 15.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 75.52 109.342 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.1 mmt -57.82 -15.83 9.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 75.32 110.934 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -107.98 -41.68 4.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 74.21 110.325 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 14.1 t80 -62.2 -54.38 41.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 73.53 110.999 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.5 mt -58.42 -27.87 64.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 71.44 109.307 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -69.75 -32.28 70.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 72.12 110.249 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 42.4 m-20 -171.31 81.51 0.51 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 62.35 109.26 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.565 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.04 0.09 9.34 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.497 1.788 . . . . 74.42 111.013 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.51 -16.36 30.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 72.43 109.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -102.66 -25.43 13.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 55.5 109.313 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -73.25 -48.88 31.16 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.459 1.099 . . . . 73.43 110.945 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.588 HD13 ' OD1' ' A' ' 52' ' ' ASN . 5.1 mt -128.96 86.81 56.35 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 71.04 109.342 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 105.06 2.01 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 75.43 111.024 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 131.91 -10.69 5.42 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.42 1.075 . . . . 61.2 111.018 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.548 HG23 ' H ' ' A' ' 80' ' ' MET . 13.0 t -65.39 179.34 0.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 0.779 . . . . 74.51 110.378 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.459 ' HG2' ' CG2' ' A' ' 49' ' ' THR . 1.6 pttt -121.66 26.89 8.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 61.34 109.314 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.548 ' H ' HG23 ' A' ' 78' ' ' THR . 1.9 tpp -72.31 73.44 0.97 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.503 1.127 . . . . 75.05 110.982 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.682 HG22 ' O ' ' A' ' 81' ' ' ILE . 13.6 mt -66.11 81.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 73.13 109.331 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.517 ' CZ ' ' O ' ' A' ' 83' ' ' VAL . 10.1 t80 -148.78 145.68 27.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 64.53 111.054 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.517 ' O ' ' CZ ' ' A' ' 82' ' ' PHE . 21.4 m -81.23 148.2 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.572 1.17 . . . . 72.2 109.342 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -79.08 160.08 46.01 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.498 1.124 . . . . 44.21 110.95 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.456 HD12 ' HG2' ' A' ' 91' ' ' ARG . 4.1 mt -107.75 155.55 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 73.43 109.317 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -113.73 -40.36 3.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 72.24 109.243 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -70.84 148.76 47.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 71.11 109.324 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.1 mmtm -90.71 -44.41 9.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 73.43 109.236 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -55.15 -46.32 75.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.6 1.188 . . . . 73.44 110.233 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.09 -30.26 61.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 64.24 110.358 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.456 ' HG2' HD12 ' A' ' 85' ' ' ILE . 49.0 mtm-85 -83.38 -30.09 27.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 42.25 110.282 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.41 -54.25 31.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 62.14 109.38 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 96' ' ' ALA . 0.9 OUTLIER -59.15 -56.02 27.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.627 1.204 . . . . 75.33 109.335 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.572 ' CD1' HD12 ' A' ' 98' ' ' LEU . 2.5 tm? -50.41 -28.47 8.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 64.13 109.353 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.442 HD12 ' O ' ' A' ' 91' ' ' ARG . 55.3 mt -86.86 -29.05 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.591 1.182 . . . . 73.24 109.348 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -68.86 -27.33 65.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 61.14 109.301 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.822 ' HA ' HG12 ' A' ' 3' ' ' VAL . 0.8 OUTLIER -95.21 -29.18 14.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.152 . . . . 74.52 111.005 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.771 HD11 HMB3 ' A' ' 500' ' ' HEC . 10.9 mt -73.64 -42.52 61.3 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 61.35 109.275 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -72.96 -16.24 61.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 74.1 109.284 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -102.48 -15.76 16.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 72.11 109.246 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 97' ' ' TYR . . . -81.44 -40.36 23.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 75.14 109.286 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 98' ' ' LEU . 13.8 p -92.15 20.96 5.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.417 1.073 . . . . 73.13 110.415 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -127.42 -51.41 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 70.44 109.327 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 74.3 110.302 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.785 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.016 -0.834 . . . . 52.2 111.016 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -41.83 153.53 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 0.764 . . . . 63.42 109.346 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.858 HG12 ' HA ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -112.23 -50.1 5.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 75.34 109.204 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 3' ' ' VAL . 29.1 mt-10 -38.41 -54.48 1.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 73.12 110.321 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.6 mmtp -47.12 -46.79 23.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 75.51 109.304 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.446 ' O ' ' CB ' ' A' ' 10' ' ' PHE . . . -74.91 -23.34 75.02 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 72.04 110.979 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.552 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 2.1 tppp? -71.84 -36.8 70.29 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.531 0.783 . . . . 74.43 109.311 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -79.93 -40.35 28.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 60.43 109.322 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.824 HG23 ' CE ' ' A' ' 13' ' ' LYS . 23.2 mt -69.02 -30.93 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 74.32 109.302 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.554 ' CE1' HG11 ' A' ' 20' ' ' VAL . 21.7 t80 -70.33 -17.04 63.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 72.24 111.032 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.449 ' O ' ' CB ' ' A' ' 15' ' ' SER . 56.8 mt -84.59 -58.96 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 74.44 109.277 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.4 mtt -63.99 -12.26 36.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 65.42 110.881 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.824 ' CE ' HG23 ' A' ' 9' ' ' ILE . 38.3 mttm -112.42 -34.1 5.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 64.41 109.284 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.495 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -134.39 78.12 1.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 32.54 108.375 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -115.06 147.64 39.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 63.31 110.036 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 39.22 38.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 65.25 110.345 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.3 m -137.04 -70.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 75.41 108.298 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.554 ' HD1' HD23 ' A' ' 32' ' ' LEU . 83.1 m-70 -91.42 159.54 15.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 64.33 109.629 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.499 ' C ' HG22 ' A' ' 20' ' ' VAL . 6.6 p -113.11 -28.34 7.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 63.55 110.37 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.554 HG11 ' CE1' ' A' ' 10' ' ' PHE . 28.6 m 46.05 26.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.544 1.153 . . . . 62.12 109.359 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 19' ' ' THR . 5.3 mt-10 -110.5 136.03 50.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 55.24 110.277 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.1 tttp -57.71 -39.41 77.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 73.14 109.259 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.95 -4.09 51.51 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.566 1.166 . . . . 60.4 110.996 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -46.62 172.57 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.995 -0.842 . . . . 42.54 110.995 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.441 ' O ' HG21 ' A' ' 19' ' ' THR . 0.1 OUTLIER -123.1 161.14 24.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.767 . . . . 63.34 109.341 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -76.62 119.94 21.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.446 1.091 . . . . 74.52 109.649 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -107.79 -95.88 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 74.23 109.325 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.8 m -80.82 -31.27 35.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 61.25 110.413 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.89 -160.04 8.19 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.515 1.134 . . . . 73.33 111.032 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.487 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 18.5 Cg_endo -74.95 150.37 38.29 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.533 1.807 . . . . 64.11 111.031 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -72.34 131.46 42.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 54.23 109.349 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.554 HD23 ' HD1' ' A' ' 18' ' ' HIS . 1.9 mm? -87.39 81.01 7.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 74.54 109.246 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -119.36 -56.22 2.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 64.43 109.617 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.16 58.53 0.6 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.119 . . . . 75.21 110.972 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.1 tp -75.5 -74.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 70.13 109.238 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.496 ' CZ ' ' HB2' ' A' ' 99' ' ' LYS . 24.5 m-85 -67.86 120.72 14.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 61.41 111.03 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.48 30.27 8.75 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 44.23 110.969 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.3 ttp180 -148.72 158.31 44.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 0.766 . . . . 74.14 110.328 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.436 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 13.0 mtmt -90.16 -179.49 5.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 65.41 109.34 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.3 p -87.18 133.18 33.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 75.44 110.451 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.527 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 71.01 54.22 9.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.557 1.16 . . . . 62.5 110.976 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 43' ' ' ALA . 66.7 mm-40 -107.99 -23.41 12.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 0.709 . . . . 74.22 110.312 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.539 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -39.54 99.93 0.2 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 70.23 109.361 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.0 Cg_endo -75.01 58.06 4.78 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 70.11 110.936 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -176.0 -37.99 0.05 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 63.41 111.092 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -119.32 123.46 44.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.778 . . . . 73.2 111.021 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.9 p -101.25 130.9 47.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 74.42 109.986 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.629 ' CD1' ' N ' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -91.76 -175.53 4.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 74.5 111.075 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.87 HG23 ' HE2' ' A' ' 79' ' ' LYS . 8.1 p -58.67 179.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 65.43 110.42 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.64 12.97 15.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 65.45 109.345 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.58 -47.93 5.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 73.13 109.327 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.644 ' OD1' HD13 ' A' ' 75' ' ' ILE . 3.2 t30 -85.01 -47.16 10.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 72.12 109.291 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -46.42 -49.45 18.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 75.03 109.318 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -60.7 -31.51 70.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 64.31 109.333 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' ASN . 26.4 tptt -56.04 143.16 33.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 71.13 109.257 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.34 80.91 0.24 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 74.1 110.946 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.501 HD13 ' OH ' ' A' ' 74' ' ' TYR . 2.5 pp -145.36 170.51 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 0.737 . . . . 74.01 109.336 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.5 ' O ' HG21 ' A' ' 63' ' ' THR . 3.7 mm -106.7 137.32 37.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.109 . . . . 71.13 109.276 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 66.0 m95 -80.22 149.47 30.43 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.989 -1.115 . . . . 75.24 107.989 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.687 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -176.59 -165.46 32.2 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.469 1.105 . . . . 64.1 110.992 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.578 ' OE1' HG21 ' A' ' 95' ' ' ILE . 3.7 mm-40 -74.34 -33.29 63.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.796 . . . . 64.13 110.372 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.61 -55.19 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 64.11 109.309 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.5 HG21 ' O ' ' A' ' 58' ' ' ILE . 3.6 p -59.77 -49.0 79.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 73.22 110.413 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.687 HD12 ' O ' ' A' ' 60' ' ' GLY . 22.2 mt -57.52 -52.38 65.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 75.52 109.247 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.3 mmt -49.89 -21.87 1.31 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 1.164 . . . . 75.32 111.052 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -99.55 -30.64 12.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 74.21 110.299 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.53 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 3.5 t80 -73.88 -60.81 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 73.53 110.987 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.619 HD21 HD12 ' A' ' 94' ' ' LEU . 11.1 mp -44.19 -47.38 9.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.157 . . . . 71.44 109.321 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -52.0 -43.84 63.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 72.12 110.273 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -166.16 86.9 0.9 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 62.35 109.321 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.53 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.93 -0.27 9.73 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.503 1.791 . . . . 74.42 111.024 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -44.95 17.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 72.43 109.274 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -42.3 82.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 55.5 109.288 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.501 ' OH ' HD13 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -55.33 -58.46 7.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 73.43 110.964 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.644 HD13 ' OD1' ' A' ' 52' ' ' ASN . 3.6 mt -130.9 85.05 56.42 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 71.04 109.337 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.86 135.11 18.91 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.438 1.757 . . . . 75.43 111.082 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.13 6.9 58.75 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 61.2 111.082 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.5 t -72.8 168.11 19.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 0.758 . . . . 74.51 110.415 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.87 ' HE2' HG23 ' A' ' 49' ' ' THR . 23.8 mttm -80.99 -21.11 40.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.153 . . . . 61.34 109.238 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.47 ' CE ' ' NA ' ' A' ' 500' ' ' HEC . 4.5 tpp -43.01 138.34 2.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 75.05 110.978 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.401 HG22 ' O ' ' A' ' 81' ' ' ILE . 22.7 mm -116.23 47.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 73.13 109.3 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.42 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 11.8 t80 -118.24 148.7 42.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 64.53 111.037 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.7 m -98.41 -32.03 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 72.2 109.273 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.42 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 124.32 -179.75 16.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.557 1.16 . . . . 44.21 111.025 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.4 mt -120.89 138.42 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.754 . . . . 73.43 109.295 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -94.51 -27.64 15.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 72.24 109.282 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 40.1 mttp -90.35 107.31 19.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 71.11 109.293 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.9 tttm -61.75 -33.45 74.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.086 . . . . 73.43 109.293 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -61.87 -33.65 74.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 73.44 110.22 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.27 -8.51 57.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 64.24 110.334 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.438 ' O ' ' CG1' ' A' ' 95' ' ' ILE . 47.7 mtt180 -89.28 -34.06 16.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 42.25 110.264 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 96' ' ' ALA . . . -67.3 -51.35 53.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 62.14 109.283 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.05 -45.36 95.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 75.33 109.316 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.622 HD13 HD12 ' A' ' 98' ' ' LEU . 1.9 tm? -64.22 -36.69 84.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 64.13 109.323 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.578 HG21 ' OE1' ' A' ' 61' ' ' GLU . 68.3 mt -79.78 -16.25 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 73.24 109.338 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 92' ' ' ALA . . . -74.42 -40.01 62.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 61.14 109.245 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.858 ' HA ' HG12 ' A' ' 3' ' ' VAL . 1.2 t80 -86.1 -27.34 24.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 74.52 110.94 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.655 HD11 ' CMB' ' A' ' 500' ' ' HEC . 10.7 mt -73.97 -31.35 62.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 61.35 109.273 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 60.2 tttm -83.81 -14.5 51.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 74.1 109.335 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -107.09 -14.65 14.87 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 72.11 109.296 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 97' ' ' TYR . . . -77.42 -48.57 16.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 75.14 109.303 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 31.0 p -88.72 17.83 5.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.411 1.07 . . . . 73.13 110.366 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -107.97 -40.72 5.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 70.44 109.274 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 74.3 110.341 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.79 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.584 ' O ' ' HB1' ' A' ' 96' ' ' ALA . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.972 -0.851 . . . . 52.2 110.972 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.42 153.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.741 . . . . 63.42 109.275 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.61 HG23 ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -110.35 -39.72 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 75.34 109.283 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -51.84 -49.32 63.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.403 1.065 . . . . 73.12 110.314 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.598 ' O ' HD12 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -58.22 -20.63 43.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 75.51 109.231 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.19 -22.08 13.88 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.148 . . . . 72.04 110.986 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.562 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 23.9 tttm -76.71 -25.26 53.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.788 . . . . 74.43 109.357 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -82.61 -44.64 15.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.611 1.194 . . . . 60.43 109.251 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.748 HG23 ' HE2' ' A' ' 13' ' ' LYS . 22.4 mt -68.45 -37.48 77.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 74.32 109.34 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.559 ' CE1' HG11 ' A' ' 20' ' ' VAL . 17.3 t80 -59.46 -17.45 31.29 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.103 . . . . 72.24 111.005 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.472 ' O ' ' CB ' ' A' ' 15' ' ' SER . 17.5 mt -84.27 -60.46 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 74.44 109.295 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.7 mmm -64.48 -10.6 26.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 65.42 111.026 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.748 ' HE2' HG23 ' A' ' 9' ' ' ILE . 49.6 mttm -112.79 -36.16 5.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 64.41 109.355 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.487 ' HB2' ' CD1' ' A' ' 10' ' ' PHE . 1.4 m -133.14 75.7 1.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 32.54 108.292 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER -111.24 143.9 41.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 63.31 110.044 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 38.96 36.92 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 65.25 110.261 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 m -134.78 -48.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 75.41 108.251 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -115.63 129.0 56.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 64.33 109.609 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.502 ' O ' HG22 ' A' ' 20' ' ' VAL . 25.5 p -83.05 -32.37 26.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 63.55 110.383 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.559 HG11 ' CE1' ' A' ' 10' ' ' PHE . 36.0 m 46.33 51.29 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 62.12 109.367 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -128.27 -179.53 5.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 55.24 110.246 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -78.41 96.47 5.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 73.14 109.279 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 38.73 53.48 2.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 60.4 111.034 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.36 -155.39 30.48 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.985 -0.846 . . . . 42.54 110.985 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.95 -175.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 63.34 109.255 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -130.53 73.79 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 74.52 109.588 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' GLY . 24.9 mmmt -53.59 -173.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 74.23 109.291 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.429 ' O ' HMD3 ' A' ' 500' ' ' HEC . 6.4 m -38.84 -29.92 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.481 1.113 . . . . 61.25 110.375 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -115.9 164.43 12.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 73.33 111.073 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 148.72 35.4 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.532 1.806 . . . . 64.11 110.995 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.529 ' O ' HD23 ' A' ' 32' ' ' LEU . 7.1 t30 -58.2 144.09 41.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 54.23 109.295 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.772 HD22 ' CGA' ' A' ' 500' ' ' HEC . 11.4 mt -124.68 83.06 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 74.54 109.335 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -103.24 -40.25 6.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 64.43 109.598 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.44 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -101.74 27.76 18.99 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.127 . . . . 75.21 111.012 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.459 ' CB ' HG21 ' A' ' 102' ' ' THR . 12.5 tp -40.43 -68.55 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 70.13 109.326 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.542 ' CE2' ' HA ' ' A' ' 99' ' ' LYS . 29.6 m-85 -76.34 95.73 3.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.619 1.2 . . . . 61.41 110.952 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.22 32.25 1.7 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.584 1.177 . . . . 44.23 110.961 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.44 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 51.0 ttm-85 -145.28 138.41 26.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 74.14 110.318 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.456 ' HD3' ' CD1' ' A' ' 58' ' ' ILE . 2.7 mppt? -76.17 -175.24 3.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.455 1.097 . . . . 65.41 109.268 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.7 p -96.89 124.32 40.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 75.44 110.369 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.72 64.54 1.37 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.144 . . . . 62.5 110.961 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 44' ' ' PRO . 25.1 mm100 -123.9 -41.8 2.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 0.794 . . . . 74.22 110.281 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.474 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . . . -39.52 99.92 0.2 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.085 . . . . 70.23 109.282 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -75.01 -15.49 20.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.55 1.816 . . . . 70.11 110.968 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.71 -49.21 6.69 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.568 1.168 . . . . 63.41 111.005 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -133.55 91.81 2.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 73.2 111.0 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 64.1 p -64.8 144.42 57.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 74.42 109.975 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.598 ' CD1' ' N ' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -87.89 -174.94 4.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 74.5 111.022 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.47 HG23 ' O2D' ' A' ' 500' ' ' HEC . 60.0 p -55.81 175.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 65.43 110.364 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.9 -15.73 43.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 65.45 109.323 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.5 -27.82 34.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 73.13 109.32 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' LYS . 2.0 t30 -87.87 -52.9 5.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 72.12 109.305 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -41.87 -30.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 75.03 109.287 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.407 ' N ' ' C ' ' A' ' 52' ' ' ASN . 3.8 m-20 -65.06 -51.89 58.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 64.31 109.292 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 52' ' ' ASN . 23.1 tptt -40.59 140.44 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 71.13 109.275 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.59 66.03 0.48 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.547 1.155 . . . . 74.1 111.027 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.8 pp -133.61 164.25 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 74.01 109.243 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.456 ' CD1' ' HD3' ' A' ' 39' ' ' LYS . 2.7 mm -92.58 138.67 19.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.466 1.104 . . . . 71.13 109.334 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -81.51 100.0 9.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.107 . . . . 75.24 108.03 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -114.91 -167.42 15.48 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.502 1.126 . . . . 64.1 111.03 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -75.67 -52.59 10.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 0.733 . . . . 64.13 110.373 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -53.86 -49.24 68.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 64.11 109.277 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 64.7 p -56.76 -65.83 0.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 73.22 110.37 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.564 ' O ' HD12 ' A' ' 68' ' ' LEU . 45.5 mt -43.95 -42.35 5.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.577 1.173 . . . . 75.52 109.316 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.535 ' HE3' ' HB3' ' A' ' 91' ' ' ARG . 3.5 tpt -48.74 -56.84 7.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 75.32 110.94 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -70.45 -58.2 3.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 74.21 110.36 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -43.04 -31.91 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.065 . . . . 73.53 111.033 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 64' ' ' LEU . 10.3 mt -70.79 -50.63 33.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 71.44 109.3 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -51.28 -32.15 23.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 72.12 110.359 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -168.01 88.57 0.69 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 62.35 109.334 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.28 1.24 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.533 1.807 . . . . 74.42 110.955 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.4 -50.65 51.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 72.43 109.287 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -60.93 -52.81 63.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 55.5 109.302 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -48.45 -28.94 3.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 73.43 111.016 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.1 mt -148.41 90.07 5.01 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 71.04 109.325 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 122.39 7.16 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.433 1.754 . . . . 75.43 110.988 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.34 3.15 38.3 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 61.2 110.987 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.4 t -70.77 160.74 32.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 74.51 110.337 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.405 ' HB2' HMD2 ' A' ' 500' ' ' HEC . 5.0 mtmm -83.02 -39.98 20.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 61.34 109.269 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.3 ttt -45.06 129.51 7.57 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.487 1.117 . . . . 75.05 110.991 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mt -109.73 124.16 66.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 73.13 109.353 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -154.63 176.9 11.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 64.53 110.956 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.2 m -122.54 -45.72 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 72.2 109.319 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.11 139.41 5.34 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.577 1.173 . . . . 44.21 111.011 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 14.8 mt -92.34 145.04 8.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.503 0.766 . . . . 73.43 109.278 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.82 -63.58 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 72.24 109.254 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -57.11 110.91 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 71.11 109.333 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -22.15 66.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 73.43 109.313 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -64.71 -32.29 73.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 73.44 110.255 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -77.45 -31.71 54.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 64.24 110.265 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.535 ' HB3' ' HE3' ' A' ' 65' ' ' MET . 88.6 mtm-85 -74.37 -22.48 59.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 42.25 110.262 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.92 -45.8 23.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 62.14 109.285 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.73 -51.29 43.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 75.33 109.243 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.723 HD21 HBB3 ' A' ' 500' ' ' HEC . 65.0 tp -47.23 -38.54 12.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 64.13 109.302 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.509 HD12 ' O ' ' A' ' 91' ' ' ARG . 81.9 mt -78.17 -42.74 27.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 73.24 109.35 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.584 ' HB1' ' O ' ' A' ' 1' ' ' GLY . . . -52.45 -22.22 4.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 61.14 109.28 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.709 ' CE1' ' HB2' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -93.19 -55.66 3.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 74.52 111.012 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.756 HD11 HMB3 ' A' ' 500' ' ' HEC . 13.9 mt -53.67 -24.65 15.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 61.35 109.317 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.542 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 10.9 pttp -76.6 -32.83 58.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 74.1 109.323 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -90.96 -14.6 31.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 72.11 109.328 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.709 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -82.61 -48.24 11.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 75.14 109.297 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 98' ' ' LEU . 41.7 p -81.71 4.47 21.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 73.13 110.398 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -104.13 -62.08 1.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 70.44 109.237 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 74.3 110.294 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.803 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.979 -0.848 . . . . 52.2 110.979 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -52.08 163.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 63.42 109.277 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.848 HG12 ' HA ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -114.75 -52.02 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.108 . . . . 75.34 109.273 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -40.49 -50.91 2.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.622 1.201 . . . . 73.12 110.336 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -50.44 -44.03 55.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 75.51 109.258 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -79.37 -20.14 70.05 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.479 1.112 . . . . 72.04 111.044 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.565 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 15.8 ttpp -76.04 -21.12 57.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.401 0.707 . . . . 74.43 109.272 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -90.02 -29.55 18.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 60.43 109.286 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.669 HG23 ' CE ' ' A' ' 13' ' ' LYS . 18.7 mt -85.38 -19.28 8.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.163 . . . . 74.32 109.333 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.472 ' CD1' ' HB2' ' A' ' 14' ' ' CYS . 9.4 t80 -78.1 -25.32 47.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 72.24 111.073 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.497 ' O ' ' CB ' ' A' ' 15' ' ' SER . 56.8 mt -81.82 -74.4 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 74.44 109.253 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 34.2 mmm -38.38 -29.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.46 1.1 . . . . 65.42 111.037 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.669 ' CE ' HG23 ' A' ' 9' ' ' ILE . 34.6 mttm -99.23 -65.63 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 64.41 109.32 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.54 ' HA ' HMC3 ' A' ' 500' ' ' HEC . 0.2 OUTLIER -92.81 62.22 3.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.088 . . . . 32.54 108.303 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -101.21 151.55 21.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 63.31 110.007 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 38.95 30.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 65.25 110.27 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.434 ' HA ' ' CG2' ' A' ' 28' ' ' THR . 2.0 m -132.7 -71.43 0.53 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 75.41 108.302 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -93.93 155.31 17.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 64.33 109.591 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.686 ' O ' HG22 ' A' ' 20' ' ' VAL . 56.9 p -117.2 -36.13 3.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 63.55 110.363 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.701 HG12 ' HB2' ' A' ' 32' ' ' LEU . 8.7 m 49.05 27.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 62.12 109.266 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.427 ' CG ' ' HB ' ' A' ' 19' ' ' THR . 1.8 pt-20 -131.82 157.62 43.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 55.24 110.311 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.0 mtmm -90.43 58.98 4.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 73.14 109.287 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -173.35 -38.84 0.04 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 60.4 110.973 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.69 84.37 0.15 Allowed Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.025 -0.83 . . . . 42.54 111.025 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 pttp -41.49 161.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 63.34 109.279 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.428 ' CE1' ' H ' ' A' ' 31' ' ' ASN . 7.3 m170 -64.02 131.38 47.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 74.52 109.588 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.63 -85.21 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 74.23 109.279 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.434 ' CG2' ' HA ' ' A' ' 17' ' ' CYS . 24.2 p -87.92 -34.98 17.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 61.25 110.374 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -136.3 -176.74 14.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.442 1.089 . . . . 73.33 110.979 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.449 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -75.02 143.34 28.89 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.408 1.741 . . . . 64.11 110.985 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.565 ' O ' HD22 ' A' ' 32' ' ' LEU . 13.7 t-20 -53.08 161.75 0.78 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.6 1.188 . . . . 54.23 109.306 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.872 ' O ' HG22 ' A' ' 102' ' ' THR . 2.7 mm? -120.93 72.85 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 74.54 109.243 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -120.9 -48.67 2.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 64.43 109.625 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.11 22.88 36.4 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 75.21 110.965 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.73 ' HB2' HD13 ' A' ' 32' ' ' LEU . 10.9 tp -49.4 -74.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 70.13 109.316 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.537 ' CE2' ' HG3' ' A' ' 99' ' ' LYS . 8.3 m-85 -54.5 132.56 44.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 61.41 111.027 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.89 33.32 41.97 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.532 1.145 . . . . 44.23 111.055 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -145.21 135.83 24.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 0.749 . . . . 74.14 110.256 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.443 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 6.8 mtmm -73.1 -178.86 3.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 65.41 109.29 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.0 p -90.06 141.53 28.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 75.44 110.391 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.417 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 61.99 57.98 14.85 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.565 1.165 . . . . 62.5 111.025 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 44' ' ' PRO . 96.4 mm-40 -115.63 -41.91 3.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 74.22 110.286 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.44 99.84 0.2 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 70.23 109.355 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.4 Cg_endo -74.95 -0.62 10.16 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.5 1.79 . . . . 70.11 111.019 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.12 -46.62 2.8 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 63.41 111.008 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.443 ' O ' ' CE1' ' A' ' 48' ' ' TYR . 36.9 t80 -125.82 81.61 2.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 0.778 . . . . 73.2 111.004 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.6 t -56.28 139.49 47.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.58 1.175 . . . . 74.42 110.005 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.545 ' CD1' ' N ' ' A' ' 48' ' ' TYR . 1.9 m-30 -91.73 -175.99 4.33 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.63 1.206 . . . . 74.5 111.039 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 p -62.51 161.26 12.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 65.43 110.339 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.51 -23.17 66.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 65.45 109.247 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.94 -70.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 73.13 109.277 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.96 -42.19 36.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.406 1.066 . . . . 72.12 109.297 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -48.27 -50.21 30.7 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.414 1.071 . . . . 75.03 109.244 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -49.14 -55.66 11.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 64.31 109.265 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.476 ' HE3' ' CE1' ' A' ' 74' ' ' TYR . 4.9 tppt? -43.39 137.79 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 71.13 109.298 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.25 64.7 0.5 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.567 1.167 . . . . 74.1 111.029 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.454 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.0 pp -124.87 164.91 22.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.509 0.77 . . . . 74.01 109.287 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.443 ' CD1' ' HG3' ' A' ' 39' ' ' LYS . 4.1 mm -92.19 142.65 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 71.13 109.312 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.569 ' CH2' ' CD2' ' A' ' 67' ' ' TYR . 23.1 m95 -86.54 152.15 22.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 75.24 108.015 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.415 ' C ' ' N ' ' A' ' 62' ' ' ASP . . . 178.12 146.52 6.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.118 . . . . 64.1 111.031 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.586 ' CB ' ' CG2' ' A' ' 95' ' ' ILE . 1.4 pt-20 -40.18 -29.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 64.13 110.268 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.415 ' N ' ' C ' ' A' ' 60' ' ' GLY . 0.4 OUTLIER -67.18 -61.93 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 64.11 109.323 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.9 p -58.93 -26.08 64.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 73.22 110.369 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.436 HD11 HD21 ' A' ' 35' ' ' LEU . 70.1 mt -73.06 -41.84 63.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 75.52 109.328 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 34.0 tpp -61.29 -18.42 58.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.075 . . . . 75.32 111.05 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -107.58 -27.67 10.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 74.21 110.259 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.637 ' CE1' ' CB ' ' A' ' 71' ' ' PRO . 7.8 t80 -87.59 -10.63 50.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 73.53 110.997 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.428 ' HA ' HD23 ' A' ' 68' ' ' LEU . 12.9 mt -84.12 -37.45 21.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 71.44 109.265 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -51.59 -35.55 41.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 72.12 110.225 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -170.56 82.91 0.55 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 62.35 109.305 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.637 ' CB ' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.04 0.18 9.23 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.582 1.833 . . . . 74.42 111.038 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -84.87 -18.76 33.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 72.43 109.302 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -94.81 -52.23 4.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 55.5 109.303 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.476 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 2.9 t80 -41.35 -28.85 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 73.43 111.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.643 HG22 ' HB ' ' A' ' 78' ' ' THR . 6.5 mt -143.62 90.13 7.2 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 71.04 109.291 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 119.57 5.7 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.451 1.764 . . . . 75.43 110.942 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.04 13.27 34.28 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.46 1.1 . . . . 61.2 110.959 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.643 ' HB ' HG22 ' A' ' 75' ' ' ILE . 13.2 t -81.34 175.02 10.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 74.51 110.397 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.481 ' HB2' HMD2 ' A' ' 500' ' ' HEC . 3.0 mtmt -96.05 -15.95 21.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 61.34 109.246 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.538 ' CE ' ' NA ' ' A' ' 500' ' ' HEC . 2.1 tpp -51.77 108.94 0.31 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.144 . . . . 75.05 110.996 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.437 ' CD1' ' O ' ' A' ' 79' ' ' LYS . 16.5 mm -93.43 69.83 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 73.13 109.295 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.803 ' CE2' HBB2 ' A' ' 500' ' ' HEC . 5.1 t80 -146.28 128.79 16.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 64.53 111.032 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.9 m -87.6 -15.69 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 72.2 109.363 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 97.45 168.14 32.69 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.562 1.164 . . . . 44.21 111.046 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.485 HD12 ' H ' ' A' ' 85' ' ' ILE . 2.8 mp -99.45 167.95 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.558 0.799 . . . . 73.43 109.233 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.46 ' N ' HG22 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -105.26 -65.19 1.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.16 . . . . 72.24 109.317 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -47.05 130.14 12.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.61 1.194 . . . . 71.11 109.296 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -74.91 -34.29 62.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.568 1.168 . . . . 73.43 109.269 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -62.49 -43.4 98.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 73.44 110.266 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.487 ' OE2' HD11 ' A' ' 9' ' ' ILE . 2.6 mm-40 -64.58 -33.9 77.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 64.24 110.313 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.438 ' NH1' ' O ' ' A' ' 85' ' ' ILE . 52.8 mtm-85 -72.04 -37.27 69.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 42.25 110.275 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.98 -61.71 2.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 62.14 109.321 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 96' ' ' ALA . 28.0 m-20 -52.6 -53.98 39.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 75.33 109.272 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.609 HD21 HBB3 ' A' ' 500' ' ' HEC . 58.4 tp -47.78 -39.91 19.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 64.13 109.352 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.586 ' CG2' ' CB ' ' A' ' 61' ' ' GLU . 65.2 mt -75.99 -30.18 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 73.24 109.3 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -66.08 -32.97 74.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 61.14 109.334 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.848 ' HA ' HG12 ' A' ' 3' ' ' VAL . 0.9 OUTLIER -90.02 -35.64 15.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 74.52 111.024 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.517 HD11 ' CMB' ' A' ' 500' ' ' HEC . 38.1 mt -63.93 -18.84 64.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 61.35 109.292 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.537 ' HG3' ' CE2' ' A' ' 36' ' ' PHE . 32.1 tttm -95.4 -52.57 4.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 74.1 109.328 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -64.38 -15.7 60.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 72.11 109.284 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 97' ' ' TYR . . . -78.83 -57.18 3.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 75.14 109.308 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.872 HG22 ' O ' ' A' ' 32' ' ' LEU . 44.7 p -71.74 -20.7 61.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 73.13 110.41 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -64.22 -65.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 70.44 109.261 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 74.3 110.327 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.803 HBB2 ' CE2' ' A' ' 82' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.039 -0.824 . . . . 52.2 111.039 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -42.43 154.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 0.817 . . . . 63.42 109.337 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.839 HG12 ' HA ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -113.11 -53.23 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 75.34 109.311 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -38.43 -57.14 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 73.12 110.322 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.496 ' O ' HD12 ' A' ' 9' ' ' ILE . 5.0 mptp? -45.16 -45.02 11.24 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 75.51 109.294 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -73.92 -26.8 68.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 72.04 110.974 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.552 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 8.5 ttpp -75.41 -20.55 58.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.463 0.743 . . . . 74.43 109.278 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -94.04 -19.56 20.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 60.43 109.276 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.496 HD12 ' O ' ' A' ' 5' ' ' LYS . 19.8 mt -98.1 -15.4 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 74.32 109.299 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.622 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 9.1 t80 -84.93 -29.11 25.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 72.24 110.996 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.494 ' O ' ' CB ' ' A' ' 15' ' ' SER . 84.8 mt -81.63 -69.1 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 74.44 109.27 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.2 mmt -38.12 -30.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 65.42 111.012 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.991 ' HZ3' HBB1 ' A' ' 500' ' ' HEC . 4.9 mtpm? -103.36 -67.77 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 64.41 109.302 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.528 ' HA ' HMC3 ' A' ' 500' ' ' HEC . 0.0 OUTLIER -84.77 60.31 6.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 32.54 108.285 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -100.54 152.49 20.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 63.31 110.018 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.403 ' HA ' ' NZ ' ' A' ' 27' ' ' LYS . 16.0 mt-30 39.75 31.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 65.25 110.372 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.7 m -135.1 -67.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 75.41 108.334 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -97.23 151.03 20.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 64.33 109.58 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.673 ' O ' HG22 ' A' ' 20' ' ' VAL . 17.4 p -114.08 -32.02 6.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 63.55 110.334 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 19' ' ' THR . 12.1 m 48.72 27.46 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 62.12 109.286 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -111.53 154.21 25.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 55.24 110.28 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -67.86 -55.73 11.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 73.14 109.292 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.66 -16.88 78.52 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.469 1.106 . . . . 60.4 110.979 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -39.7 154.0 0.05 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.068 -0.813 . . . . 42.54 111.068 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.69 163.12 16.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 0.783 . . . . 63.34 109.347 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -73.01 121.97 20.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 74.52 109.562 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.403 ' NZ ' ' HA ' ' A' ' 16' ' ' GLN . 30.0 mtmt -110.45 -101.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 74.23 109.262 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -74.74 -28.65 60.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 61.25 110.44 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -143.28 -162.76 9.47 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.55 1.156 . . . . 73.33 110.983 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.409 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.01 152.7 41.02 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.441 1.759 . . . . 64.11 110.916 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -76.44 135.12 39.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 54.23 109.321 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.2 mt -94.37 81.19 3.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 74.54 109.355 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -104.75 -58.53 1.87 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 64.43 109.597 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.07 37.63 3.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.431 1.082 . . . . 75.21 111.028 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.591 ' CB ' HG21 ' A' ' 102' ' ' THR . 42.9 tp -41.19 -54.48 2.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 70.13 109.249 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.553 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 15.0 m-85 -87.01 106.65 17.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 61.41 110.959 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.55 27.75 5.11 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 44.23 111.004 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -137.41 124.75 21.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 74.14 110.311 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -61.92 -174.39 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 65.41 109.32 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.7 p -94.05 111.63 23.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 75.44 110.367 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.473 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 88.77 62.15 1.4 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.524 1.14 . . . . 62.5 111.045 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 43' ' ' ALA . 20.2 mm100 -112.26 -39.73 4.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.41 0.712 . . . . 74.22 110.352 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.451 ' CB ' ' OH ' ' A' ' 48' ' ' TYR . . . -39.51 99.91 0.2 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 70.23 109.334 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -74.99 -1.52 11.32 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.519 1.8 . . . . 70.11 110.998 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.94 -14.7 28.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.465 1.103 . . . . 63.41 111.034 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -151.02 120.93 7.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 73.2 111.03 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.0 p -95.67 138.28 33.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 74.42 109.95 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.621 ' CD1' ' N ' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -98.24 -174.91 2.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 74.5 111.042 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.0 p -61.3 175.62 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.405 1.066 . . . . 65.43 110.327 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.86 -15.92 55.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 65.45 109.282 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.3 -51.49 17.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 73.13 109.275 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 55' ' ' LYS . 2.5 t30 -73.14 -51.5 17.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 72.12 109.278 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -47.3 -43.36 22.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 75.03 109.25 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -61.59 -35.98 79.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 64.31 109.315 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 52' ' ' ASN . 6.8 tptp -47.08 144.67 2.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.457 1.098 . . . . 71.13 109.348 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.6 68.48 0.44 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 74.1 111.014 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.645 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.2 pp -143.39 165.46 14.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.437 0.728 . . . . 74.01 109.323 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.6 mm -98.25 156.44 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 71.13 109.296 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -97.69 143.71 28.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 75.24 108.024 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.553 ' HA2' ' CE2' ' A' ' 36' ' ' PHE . . . -164.19 -153.07 7.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.113 . . . . 64.1 111.039 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -87.93 -37.94 16.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.471 0.747 . . . . 64.13 110.353 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -73.69 -49.45 25.7 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 64.11 109.318 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.6 p -60.53 -27.65 67.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 73.22 110.353 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 64' ' ' LEU . 19.7 mt -84.31 -39.88 18.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 75.52 109.329 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.487 ' HE2' ' HB3' ' A' ' 91' ' ' ARG . 3.8 mmt -53.61 -22.99 9.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 75.32 111.035 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -98.09 -47.73 5.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.11 . . . . 74.21 110.278 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.56 ' CD1' ' HB3' ' A' ' 71' ' ' PRO . 34.6 t80 -52.41 -41.09 62.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 73.53 111.049 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.6 mt -72.07 -43.09 65.42 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.557 1.161 . . . . 71.44 109.288 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -52.48 -39.14 60.87 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.496 1.123 . . . . 72.12 110.294 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -170.37 82.66 0.57 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 62.35 109.301 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.56 ' HB3' ' CD1' ' A' ' 67' ' ' TYR . 18.5 Cg_endo -74.9 0.08 9.29 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.779 . . . . 74.42 111.033 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.498 ' HA ' ' CE ' ' A' ' 72' ' ' LYS . 0.3 OUTLIER -80.34 -30.79 38.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 72.43 109.322 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -86.94 -34.91 19.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 55.5 109.307 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -59.73 -55.06 39.06 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.515 1.134 . . . . 73.43 111.006 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.2 mt -134.86 82.1 44.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 71.04 109.209 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 109.85 3.0 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.476 1.777 . . . . 75.43 110.931 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.4 -10.28 8.18 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.449 1.093 . . . . 61.2 111.013 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.1 t -54.47 160.7 1.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 74.51 110.37 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -78.32 -21.81 49.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.108 . . . . 61.34 109.271 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.2 ttt -64.89 119.74 11.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 75.05 110.974 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.3 mm -96.35 116.94 39.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 73.13 109.307 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.538 ' CZ ' ' HE2' ' A' ' 13' ' ' LYS . 14.5 t80 -172.95 165.93 5.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 64.53 111.032 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.52 HG23 ' N ' ' A' ' 84' ' ' GLY . 22.0 m -112.09 -52.26 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 72.2 109.328 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.52 ' N ' HG23 ' A' ' 83' ' ' VAL . . . 143.31 175.65 16.61 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 44.21 110.976 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.6 mt -110.94 147.21 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 73.43 109.314 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.87 -54.7 3.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 72.24 109.255 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.4 mtmm -65.33 113.41 4.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 71.11 109.269 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -71.61 -24.45 61.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 73.43 109.252 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -67.74 -42.79 81.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 73.44 110.262 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -63.44 -24.42 67.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 64.24 110.257 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.487 ' HB3' ' HE2' ' A' ' 65' ' ' MET . 38.3 mtm180 -73.06 -35.52 66.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 42.25 110.328 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.538 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -63.83 -35.23 79.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 62.14 109.297 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -76.37 -53.53 8.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 75.33 109.3 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.705 HD21 HBB3 ' A' ' 500' ' ' HEC . 31.3 tp -56.95 -31.42 64.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 64.13 109.28 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.417 ' CG1' ' O ' ' A' ' 91' ' ' ARG . 69.6 mt -84.39 -37.35 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 73.24 109.368 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -63.49 -31.72 72.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.583 1.177 . . . . 61.14 109.36 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.839 ' HA ' HG12 ' A' ' 3' ' ' VAL . 0.4 OUTLIER -85.75 -31.42 22.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 74.52 111.006 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.692 HD11 HMB3 ' A' ' 500' ' ' HEC . 12.4 mt -76.68 -27.34 55.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 61.35 109.279 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.542 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 15.9 pttm -79.11 -31.9 44.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 74.1 109.268 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -90.44 -25.89 20.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 72.11 109.358 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 97' ' ' TYR . . . -68.45 -48.31 64.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 75.14 109.371 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.591 HG21 ' CB ' ' A' ' 35' ' ' LEU . 42.7 p -82.85 6.78 17.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 73.13 110.477 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -96.74 -51.33 4.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 70.44 109.274 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 74.3 110.257 -179.92 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.991 HBB1 ' HZ3' ' A' ' 13' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.983 -0.847 . . . . 52.2 110.983 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.25 175.57 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 0.791 . . . . 63.42 109.283 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.805 HG23 ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -110.81 -42.93 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 75.34 109.303 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.437 ' O ' ' CD ' ' A' ' 8' ' ' LYS . 1.2 mp0 -53.37 -32.81 51.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 73.12 110.347 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -69.47 -27.74 65.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.396 1.06 . . . . 75.51 109.298 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.24 -12.87 40.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.444 1.09 . . . . 72.04 110.93 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.562 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 22.9 tttp -74.44 -35.94 63.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 0.787 . . . . 74.43 109.312 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.437 ' CD ' ' O ' ' A' ' 4' ' ' GLU . 0.8 OUTLIER -69.2 -43.53 73.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 60.43 109.321 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.1 mt -64.71 -32.55 58.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 74.32 109.308 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.501 ' CZ ' ' CG1' ' A' ' 20' ' ' VAL . 61.9 t80 -73.0 -23.09 60.59 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.604 1.19 . . . . 72.24 111.016 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.7 mt -97.23 -9.9 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 74.44 109.322 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 6.9 mmt -105.4 -6.86 19.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 65.42 111.037 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -134.04 -66.01 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 64.41 109.326 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.493 ' HB2' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -88.48 55.79 3.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 32.54 108.309 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -108.95 156.11 20.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 63.31 109.956 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 48.39 24.01 0.66 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 65.25 110.301 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.7 m -130.81 -68.4 0.68 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.578 1.174 . . . . 75.41 108.309 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.765 ' HD1' HD11 ' A' ' 32' ' ' LEU . 80.8 m-70 -86.2 170.3 12.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 64.33 109.571 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.678 ' O ' HG22 ' A' ' 20' ' ' VAL . 41.2 p -121.32 -41.47 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 63.55 110.411 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.928 HG12 HD13 ' A' ' 32' ' ' LEU . 9.8 m 48.89 27.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.394 1.059 . . . . 62.12 109.293 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.414 ' CG ' ' HB ' ' A' ' 19' ' ' THR . 2.4 pt-20 -129.48 164.3 24.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 55.24 110.345 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.507 ' HG2' ' CD2' ' A' ' 33' ' ' HIS . 17.4 mtmt -109.61 97.1 6.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.425 1.078 . . . . 73.14 109.264 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.07 -22.62 2.61 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.576 1.172 . . . . 60.4 111.023 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.87 149.78 41.84 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.042 -0.823 . . . . 42.54 111.042 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.5 pttt -73.15 172.99 10.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 0.786 . . . . 63.34 109.308 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -87.23 83.35 7.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 74.52 109.643 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -66.76 -167.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 74.23 109.324 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 p -38.37 -37.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 61.25 110.386 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.98 156.71 15.45 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.496 1.123 . . . . 73.33 110.972 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.457 ' HD3' ' C2D' ' A' ' 500' ' ' HEC . 18.2 Cg_endo -75.0 152.78 41.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.524 1.802 . . . . 64.11 110.973 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.521 ' ND2' ' H ' ' A' ' 32' ' ' LEU . 1.6 t30 -69.72 168.64 14.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 54.23 109.321 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.928 HD13 HG12 ' A' ' 20' ' ' VAL . 1.3 mp -140.63 107.87 5.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 74.54 109.339 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.507 ' CD2' ' HG2' ' A' ' 22' ' ' LYS . 4.8 t-80 -116.39 -65.99 1.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 64.43 109.566 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.547 ' H ' HH21 ' A' ' 38' ' ' ARG . . . -102.08 34.16 5.93 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.563 1.165 . . . . 75.21 111.036 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.618 HD13 HD23 ' A' ' 32' ' ' LEU . 5.6 tp -40.55 -40.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 0.787 . . . . 70.13 109.276 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.562 ' CE1' ' CB ' ' A' ' 99' ' ' LYS . 12.2 m-85 -90.85 93.95 9.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 61.41 111.003 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.73 4.04 9.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.454 1.096 . . . . 44.23 110.936 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.547 HH21 ' H ' ' A' ' 34' ' ' GLY . 8.6 ptp180 -105.49 165.62 11.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 0.774 . . . . 74.14 110.318 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.859 ' N ' ' HZ2' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -96.18 -177.66 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 65.41 109.272 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.406 HG21 HG13 ' A' ' 57' ' ' ILE . 4.6 p -91.09 110.06 21.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 75.44 110.367 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.07 42.51 4.65 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 62.5 111.017 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 44' ' ' PRO . 13.7 mm100 -94.76 -32.37 13.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 0.776 . . . . 74.22 110.294 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.51 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -39.39 99.8 0.2 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 70.23 109.364 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.411 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -74.89 -14.54 21.38 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.509 1.794 . . . . 70.11 110.995 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -87.32 -7.39 76.52 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.522 1.138 . . . . 63.41 111.008 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -169.09 113.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 73.2 110.988 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.2 m -83.36 132.26 35.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 74.42 110.042 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.51 ' OH ' ' HB2' ' A' ' 43' ' ' ALA . 3.3 m-30 -85.42 178.58 7.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 74.5 110.973 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.8 p -60.92 179.16 0.19 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.494 1.121 . . . . 65.43 110.375 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.74 9.7 18.08 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.502 1.126 . . . . 65.45 109.327 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.64 -30.91 12.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.402 1.064 . . . . 73.13 109.282 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.668 ' OD1' HD13 ' A' ' 75' ' ' ILE . 0.6 OUTLIER -100.62 -40.37 7.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 72.12 109.281 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -60.17 -43.01 96.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 75.03 109.314 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 55' ' ' LYS . 51.7 p-10 -63.1 -15.35 56.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 64.31 109.307 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.449 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 19.9 tptt -73.56 150.53 41.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 71.13 109.343 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.61 75.54 0.32 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 74.1 110.97 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.626 HD12 ' C ' ' A' ' 57' ' ' ILE . 1.8 pp -144.75 149.57 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 74.01 109.239 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.444 HD13 ' HD3' ' A' ' 39' ' ' LYS . 1.9 mm -82.95 124.07 39.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 71.13 109.27 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.432 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 7.2 m95 -66.74 100.8 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.97 -1.122 . . . . 75.24 107.97 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -115.16 -158.91 12.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.568 1.167 . . . . 64.1 111.043 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.441 ' CG ' HG21 ' A' ' 95' ' ' ILE . 3.0 tt0 -89.47 -55.6 3.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 0.803 . . . . 64.13 110.333 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -54.95 -20.27 8.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 64.11 109.31 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 41.0 p -80.73 -55.44 4.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 73.22 110.378 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.408 ' O ' HD13 ' A' ' 68' ' ' LEU . 14.2 mt -54.81 -20.02 7.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 75.52 109.264 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.2 mmt -65.13 -64.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 75.32 111.025 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.57 -30.88 71.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 74.21 110.315 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.423 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 13.1 t80 -62.26 -59.6 4.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 73.53 110.968 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.672 ' CD2' HD12 ' A' ' 94' ' ' LEU . 8.4 mp -58.46 -28.46 65.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 71.44 109.303 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -66.23 -39.33 89.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 72.12 110.302 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -166.48 80.79 1.03 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 62.35 109.294 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.423 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.97 -2.75 12.95 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.469 1.773 . . . . 74.42 111.035 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -17.19 56.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 72.43 109.32 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.35 -36.09 8.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 55.5 109.256 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -62.67 -44.31 96.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 73.43 111.011 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.668 HD13 ' OD1' ' A' ' 52' ' ' ASN . 6.7 mt -141.52 87.01 10.57 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 71.04 109.335 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 128.83 11.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 75.43 111.003 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.16 25.96 20.21 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.551 1.157 . . . . 61.2 111.006 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 80' ' ' MET . 8.2 t -86.44 161.7 18.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 74.51 110.406 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.455 ' O ' HMD2 ' A' ' 500' ' ' HEC . 2.5 mtmp? -93.92 30.5 1.83 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 61.34 109.298 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.404 ' H ' HG23 ' A' ' 78' ' ' THR . 2.8 ttp -114.35 76.56 1.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.183 . . . . 75.05 111.048 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 81' ' ' ILE . 2.2 tp -52.43 115.54 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 73.13 109.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -170.66 161.43 7.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 64.53 110.981 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.1 m -110.1 -32.3 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 72.2 109.317 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.39 160.72 11.25 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.507 1.129 . . . . 44.21 111.053 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.4 mt -98.43 143.98 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.74 . . . . 73.43 109.257 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.412 ' N ' ' CD ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -97.86 -46.0 6.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 72.24 109.283 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -60.41 140.99 56.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 71.11 109.25 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -89.45 -51.61 5.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.586 1.178 . . . . 73.43 109.27 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -53.31 -36.62 61.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 73.44 110.287 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -60.8 -29.47 69.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 64.24 110.29 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 79.1 mtm-85 -86.81 -31.14 21.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 42.25 110.275 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.68 -16.1 62.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 62.14 109.301 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -105.86 -43.07 4.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 75.33 109.299 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.672 HD12 ' CD2' ' A' ' 68' ' ' LEU . 2.0 tm? -58.64 -30.64 67.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 64.13 109.308 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.441 HG21 ' CG ' ' A' ' 61' ' ' GLU . 34.3 mt -85.95 -42.02 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 73.24 109.287 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.97 -20.93 6.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 61.14 109.327 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.805 ' CD1' HG23 ' A' ' 3' ' ' VAL . 0.2 OUTLIER -92.78 -60.5 1.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 74.52 110.96 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.784 HD21 HG11 ' A' ' 20' ' ' VAL . 12.3 mt -49.62 -29.09 6.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 61.35 109.274 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.562 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 11.7 pttp -72.23 -35.95 69.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 74.1 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 97' ' ' TYR . 45.7 tttm -86.54 -15.39 40.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 72.11 109.256 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.663 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -89.17 -16.0 32.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 75.14 109.323 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 98' ' ' LEU . 64.3 p -119.76 36.9 4.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 73.13 110.396 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -128.11 -46.54 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 70.44 109.328 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 74.3 110.279 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.801 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.483 ' O ' ' HB1' ' A' ' 96' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.971 -0.852 . . . . 52.2 110.971 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -42.72 154.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 63.42 109.348 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.609 HG23 ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -116.2 -52.82 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.589 1.181 . . . . 75.34 109.312 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -38.01 -56.87 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 73.12 110.251 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -46.93 -46.58 21.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 75.51 109.264 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -73.02 -23.85 77.04 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 72.04 111.035 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.563 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 16.0 tttm -71.3 -24.03 62.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 74.43 109.299 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -88.6 -39.84 13.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 60.43 109.306 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.862 HG23 ' HE2' ' A' ' 13' ' ' LYS . 38.3 mt -73.49 -29.4 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.591 1.182 . . . . 74.32 109.314 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.446 ' CZ ' ' CG1' ' A' ' 20' ' ' VAL . 12.2 t80 -68.04 -21.94 64.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.416 1.073 . . . . 72.24 110.981 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.596 HG23 ' HB2' ' A' ' 15' ' ' SER . 90.0 mt -85.71 -63.3 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 74.44 109.299 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -52.3 -20.1 2.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 65.42 110.972 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.862 ' HE2' HG23 ' A' ' 9' ' ' ILE . 30.7 mttm -107.04 -43.0 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 64.41 109.277 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -126.34 75.89 1.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 32.54 108.357 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.596 ' HB2' HG23 ' A' ' 11' ' ' ILE . 1.7 t -116.0 151.88 34.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 63.31 110.052 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 45.45 33.3 1.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 65.25 110.289 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.4 m -139.24 -59.28 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 75.41 108.29 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.66 ' HD1' HD11 ' A' ' 32' ' ' LEU . 75.4 m-70 -102.51 129.56 49.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.147 . . . . 64.33 109.554 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.498 ' O ' HG22 ' A' ' 20' ' ' VAL . 15.0 p -91.55 -29.6 16.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 63.55 110.412 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.894 HG12 HD13 ' A' ' 32' ' ' LEU . 35.9 m 46.43 29.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.41 1.069 . . . . 62.12 109.272 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -95.85 -175.1 3.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 55.24 110.302 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -104.82 -24.81 12.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 73.14 109.29 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -138.07 13.58 3.57 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.444 1.09 . . . . 60.4 111.052 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.27 134.09 31.06 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.988 -0.845 . . . . 42.54 110.988 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.75 176.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 0.749 . . . . 63.34 109.282 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -98.95 77.67 2.22 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.483 1.114 . . . . 74.52 109.622 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -64.96 -167.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 74.23 109.231 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 p -38.4 -34.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 61.25 110.399 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -115.53 155.79 16.07 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.519 1.137 . . . . 73.33 111.042 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.87 154.0 42.86 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.451 1.763 . . . . 64.11 111.057 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -75.53 161.36 29.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 54.23 109.279 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.894 HD13 HG12 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -132.68 103.0 5.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 74.54 109.332 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -114.12 -55.75 2.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 64.43 109.626 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.03 30.67 9.91 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.518 1.136 . . . . 75.21 110.991 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.764 ' HB3' HG21 ' A' ' 102' ' ' THR . 17.4 tp -42.0 -75.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.777 . . . . 70.13 109.318 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.61 ' CD2' ' NZ ' ' A' ' 99' ' ' LYS . 77.5 m-85 -64.53 114.22 4.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 61.41 110.959 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.62 29.06 7.58 Favored Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.512 1.133 . . . . 44.23 110.99 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -146.47 153.75 40.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 74.14 110.335 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -81.73 174.11 11.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 65.41 109.237 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 45.6 p -84.93 148.5 26.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 75.44 110.392 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.563 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 62.68 45.5 95.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.123 . . . . 62.5 110.986 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 43' ' ' ALA . 64.8 mm-40 -97.22 -35.14 10.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 0.786 . . . . 74.22 110.313 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.59 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -39.51 99.94 0.2 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 70.23 109.33 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.0 Cg_endo -75.08 -1.19 10.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 70.11 110.96 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.04 -24.11 12.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 63.41 111.058 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -154.6 112.13 3.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.559 0.799 . . . . 73.2 110.976 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.4 p -76.35 140.77 41.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 74.42 109.966 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.59 ' OH ' ' HB2' ' A' ' 43' ' ' ALA . 3.2 m-30 -91.36 -177.12 4.75 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.569 1.168 . . . . 74.5 111.007 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.565 HG23 ' HE2' ' A' ' 79' ' ' LYS . 5.7 p -53.73 174.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 65.43 110.376 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.29 -16.14 56.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 65.45 109.319 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.28 -58.94 2.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 73.13 109.318 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.453 ' ND2' ' O1D' ' A' ' 500' ' ' HEC . 6.7 t-20 -57.82 -38.13 75.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 72.12 109.265 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -66.02 -31.84 72.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 75.03 109.332 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -90.61 16.06 9.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 64.31 109.2 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 57' ' ' ILE . 9.4 tptp -102.66 48.65 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 71.13 109.296 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.73 85.39 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.46 1.1 . . . . 74.1 111.031 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 55' ' ' LYS . 2.2 pp -150.39 138.1 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 74.01 109.294 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.485 ' O ' HG21 ' A' ' 63' ' ' THR . 6.9 mm -70.99 135.64 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 71.13 109.357 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -76.54 164.28 26.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 75.24 107.971 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.53 ' C ' HD12 ' A' ' 64' ' ' LEU . . . 170.31 175.72 39.32 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.466 1.104 . . . . 64.1 110.994 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.467 ' HG3' ' CE ' ' A' ' 99' ' ' LYS . 42.3 mt-10 -60.48 -31.67 70.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 0.791 . . . . 64.13 110.308 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -73.05 -64.45 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 64.11 109.207 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.485 HG21 ' O ' ' A' ' 58' ' ' ILE . 49.7 p -54.1 -29.33 44.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 73.22 110.372 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.53 HD12 ' C ' ' A' ' 60' ' ' GLY . 18.8 mt -75.49 -47.36 27.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.589 1.18 . . . . 75.52 109.271 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.9 mmt -45.1 -58.67 3.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 75.32 110.932 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 69' ' ' GLU . 0.5 OUTLIER -66.87 -59.62 3.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 74.21 110.275 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.438 ' CB ' ' O ' ' A' ' 63' ' ' THR . 55.9 t80 -41.05 -31.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 73.53 110.982 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.417 ' CD1' HD11 ' A' ' 95' ' ' ILE . 11.9 mt -79.73 -46.88 16.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.112 . . . . 71.44 109.283 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 66' ' ' GLU . 33.6 tt0 -49.6 -29.11 6.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 72.12 110.243 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -173.62 90.31 0.36 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 62.35 109.262 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 -4.9 16.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.496 1.788 . . . . 74.42 111.001 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -89.69 -18.58 26.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 72.43 109.318 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.453 ' CD ' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -98.71 -24.38 15.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 55.5 109.282 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -82.99 -32.27 27.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 73.43 110.979 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.422 HG22 ' HB ' ' A' ' 78' ' ' THR . 3.1 mt -139.4 88.85 12.46 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 71.04 109.343 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 122.61 7.32 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.5 1.789 . . . . 75.43 111.021 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.84 30.97 8.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.597 1.186 . . . . 61.2 111.011 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.489 ' HG1' ' CGD' ' A' ' 500' ' ' HEC . 8.8 t -98.78 166.14 11.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 0.794 . . . . 74.51 110.36 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.565 ' HE2' HG23 ' A' ' 49' ' ' THR . 16.6 mttm -82.34 -18.69 41.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.593 1.183 . . . . 61.34 109.334 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.413 ' HB2' HG23 ' A' ' 78' ' ' THR . 63.3 mmm -48.29 106.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 75.05 111.025 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.547 HG22 ' O ' ' A' ' 81' ' ' ILE . 17.5 mt -105.49 90.38 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 73.13 109.314 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.403 ' CZ ' ' O ' ' A' ' 83' ' ' VAL . 43.3 t80 -174.59 147.55 1.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 64.53 110.989 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.403 ' O ' ' CZ ' ' A' ' 82' ' ' PHE . 27.2 m -93.86 136.51 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 72.2 109.303 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -45.0 159.0 0.17 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 44.21 110.931 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.6 mt -87.64 156.29 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 0.752 . . . . 73.43 109.292 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -96.44 -48.18 5.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 72.24 109.295 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -67.6 146.16 54.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 71.11 109.245 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -89.81 -38.79 13.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 73.43 109.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 92' ' ' ALA . 32.1 tt0 -64.68 -47.23 79.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 73.44 110.291 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.458 ' CG ' HD13 ' A' ' 9' ' ' ILE . 13.1 tt0 -49.06 -27.31 3.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 64.24 110.331 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -85.18 -30.36 23.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 42.25 110.26 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 89' ' ' GLU . . . -67.35 -42.61 83.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 62.14 109.27 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -71.4 -54.54 10.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 75.33 109.312 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.4 ' CD1' ' HB2' ' A' ' 10' ' ' PHE . 48.0 tp -46.06 -44.77 15.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 64.13 109.289 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.417 HD11 ' CD1' ' A' ' 68' ' ' LEU . 73.6 mt -69.74 -51.69 38.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 73.24 109.256 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.483 ' HB1' ' O ' ' A' ' 1' ' ' GLY . . . -40.58 -43.28 1.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 61.14 109.308 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.717 ' CE1' ' HB2' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -69.4 -64.36 0.89 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.487 1.117 . . . . 74.52 111.058 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.564 ' O ' HG23 ' A' ' 102' ' ' THR . 12.1 mt -40.58 -29.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 61.35 109.246 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.61 ' NZ ' ' CD2' ' A' ' 36' ' ' PHE . 33.9 mttm -65.96 -54.34 27.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 74.1 109.331 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 97' ' ' TYR . 32.7 tttt -72.22 -15.32 61.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 72.11 109.294 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.717 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -73.98 -57.12 4.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 75.14 109.356 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.764 HG21 ' HB3' ' A' ' 35' ' ' LEU . 28.3 p -77.83 0.64 23.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 73.13 110.413 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -75.68 -31.07 59.59 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 70.44 109.255 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.401 1.063 . . . . 74.3 110.33 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.788 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.109 -0.797 . . . . 52.2 111.109 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.409 ' CB ' ' HE2' ' A' ' 5' ' ' LYS . 1.0 OUTLIER -56.86 165.21 1.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.759 . . . . 63.42 109.299 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.885 HG12 ' HA ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -117.26 -52.94 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 75.34 109.24 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -41.82 -50.02 4.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 73.12 110.215 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.409 ' HE2' ' CB ' ' A' ' 2' ' ' ASP . 1.1 mppt? -53.51 -41.65 66.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.587 1.18 . . . . 75.51 109.283 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -81.74 -16.87 71.87 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.594 1.184 . . . . 72.04 111.021 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.559 ' CD ' ' CZ ' ' A' ' 97' ' ' TYR . 10.5 tptm -76.05 -47.18 25.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 0.782 . . . . 74.43 109.231 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -65.13 -37.46 87.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 60.43 109.282 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.454 ' CG2' ' HD2' ' A' ' 13' ' ' LYS . 71.9 mt -66.14 -49.75 73.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 74.32 109.31 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.515 ' CD1' HD21 ' A' ' 98' ' ' LEU . 52.1 t80 -60.14 -39.76 87.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 72.24 111.006 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.432 ' CD1' ' HG3' ' A' ' 7' ' ' LYS . 75.5 mt -73.76 -10.48 13.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.581 1.176 . . . . 74.44 109.249 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.4 mtt -113.41 -4.61 13.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 65.42 110.933 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.454 ' HD2' ' CG2' ' A' ' 9' ' ' ILE . 36.5 mttm -123.7 -56.36 1.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 64.41 109.305 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -121.05 77.03 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 32.54 108.258 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.403 ' OG ' ' HA ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -124.26 6.85 8.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 63.31 109.98 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -116.82 -35.77 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 65.25 110.289 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.503 ' SG ' HG21 ' A' ' 28' ' ' THR . 89.0 m -95.74 -81.68 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 75.41 108.275 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.616 ' HB3' HD13 ' A' ' 32' ' ' LEU . 96.7 m-70 -64.66 143.08 58.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 64.33 109.608 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.703 ' O ' HG22 ' A' ' 20' ' ' VAL . 41.7 p -115.62 -33.57 5.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 63.55 110.457 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.911 HG11 ' CD2' ' A' ' 98' ' ' LEU . 6.4 m 49.51 28.27 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 62.12 109.348 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -132.81 137.37 46.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.073 . . . . 55.24 110.337 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.9 pttt -63.08 -40.26 97.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 73.14 109.333 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.69 -13.16 37.73 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.447 1.092 . . . . 60.4 110.98 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.29 170.57 25.97 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.97 -0.852 . . . . 42.54 110.97 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -132.26 -174.03 3.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.749 . . . . 63.34 109.303 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -84.94 128.86 34.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 74.52 109.551 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.8 mtmm -131.31 -97.05 0.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 74.23 109.334 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.503 HG21 ' SG ' ' A' ' 17' ' ' CYS . 5.7 m -69.97 -33.43 72.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 61.25 110.419 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.01 -170.57 12.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.419 1.074 . . . . 73.33 111.029 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 150.04 37.76 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.55 1.816 . . . . 64.11 111.078 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 33' ' ' HIS . 4.6 t30 -79.6 118.3 21.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 54.23 109.243 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.893 HD22 HD22 ' A' ' 98' ' ' LEU . 2.4 mp -65.83 75.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 74.54 109.278 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' ASN . 79.1 t60 -110.03 -68.21 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 64.43 109.577 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.09 25.47 27.7 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.535 1.147 . . . . 75.21 110.981 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.937 HD13 ' O2A' ' A' ' 500' ' ' HEC . 7.5 tp -40.48 -75.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 0.743 . . . . 70.13 109.28 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.591 ' CD1' ' HA ' ' A' ' 99' ' ' LYS . 14.0 m-85 -64.71 156.7 29.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.45 1.094 . . . . 61.41 110.973 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.04 0.72 66.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.483 1.114 . . . . 44.23 110.957 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.9 ttm-85 -123.79 162.31 23.46 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 0.784 . . . . 74.14 110.292 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.475 ' CD ' HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -84.44 178.59 7.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 65.41 109.292 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.1 p -84.45 117.05 23.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 75.44 110.415 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.539 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 81.56 54.72 3.4 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.119 . . . . 62.5 110.946 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 43' ' ' ALA . 78.9 mm-40 -109.17 -32.21 7.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 74.22 110.355 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.509 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -39.63 99.97 0.21 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 70.23 109.276 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.401 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.0 Cg_endo -75.02 -1.04 10.71 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.506 1.793 . . . . 70.11 110.994 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.84 -40.35 3.6 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 63.41 111.009 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.582 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 11.9 t80 -129.5 85.27 2.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 0.764 . . . . 73.2 110.995 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.5 m -60.87 123.11 16.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 74.42 110.06 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 46' ' ' TYR . 2.2 m-30 -79.76 -174.65 4.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 74.5 110.976 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.4 p -67.73 -175.48 0.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 65.43 110.405 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.77 13.63 17.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 65.45 109.297 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.54 -56.52 2.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 73.13 109.272 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.495 ' OD1' ' CD1' ' A' ' 75' ' ' ILE . 1.0 OUTLIER -79.77 -29.67 40.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 72.12 109.339 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -68.89 -16.47 63.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 75.03 109.391 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -75.23 -43.49 51.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 64.31 109.301 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -49.95 158.62 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 71.13 109.29 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.63 14.47 2.45 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 74.1 110.986 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.504 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.0 pp -92.86 164.87 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.743 . . . . 74.01 109.319 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.475 HD11 ' CD ' ' A' ' 39' ' ' LYS . 3.1 mm -91.0 144.46 9.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 71.13 109.327 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.411 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 7.3 m95 -79.55 116.75 19.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.605 1.19 . . . . 75.24 108.004 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.516 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -132.02 -175.88 14.18 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.598 1.187 . . . . 64.1 110.928 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -72.66 -26.15 61.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 0.775 . . . . 64.13 110.253 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -71.94 -69.16 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 64.11 109.229 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.459 HG21 HD13 ' A' ' 57' ' ' ILE . 66.4 p -45.35 -43.3 10.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 73.22 110.329 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.545 HD21 ' CMA' ' A' ' 500' ' ' HEC . 42.7 mt -65.09 -55.1 20.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 75.52 109.271 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 31.9 tpp -46.88 -28.12 1.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 75.32 111.02 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -95.51 -23.72 16.97 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 74.21 110.289 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.601 ' CE1' ' CB ' ' A' ' 71' ' ' PRO . 18.0 t80 -73.33 -56.08 5.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 73.53 110.974 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -46.82 -40.55 13.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 71.44 109.35 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -53.78 -46.41 71.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 72.12 110.331 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -161.07 79.47 2.23 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 62.35 109.259 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.601 ' CB ' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.97 0.27 9.09 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.551 1.816 . . . . 74.42 111.054 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -86.14 -20.43 28.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 72.43 109.273 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.2 pttp -95.36 -42.99 8.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 55.5 109.296 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -49.78 -42.79 47.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 73.43 111.041 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.495 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 8.6 mt -137.13 89.68 16.32 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.633 1.208 . . . . 71.04 109.264 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.04 3.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.522 1.801 . . . . 75.43 110.969 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.58 7.87 13.15 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 61.2 111.02 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.4 t -75.88 164.73 25.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 0.805 . . . . 74.51 110.426 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -88.05 -15.77 35.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 61.34 109.302 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.468 ' CE ' ' NB ' ' A' ' 500' ' ' HEC . 1.3 tpt -43.67 140.38 1.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 75.05 111.001 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.414 ' N ' ' HG3' ' A' ' 80' ' ' MET . 12.3 mm -125.09 107.22 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 73.13 109.367 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -170.84 176.06 4.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 64.53 110.955 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.538 HG23 ' N ' ' A' ' 84' ' ' GLY . 23.7 m -116.27 -53.49 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.447 1.092 . . . . 72.2 109.322 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.538 ' N ' HG23 ' A' ' 83' ' ' VAL . . . 136.32 155.22 7.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.11 . . . . 44.21 110.993 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.425 ' O ' ' NH1' ' A' ' 91' ' ' ARG . 18.5 mt -98.55 151.69 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 73.43 109.327 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -92.36 -68.12 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 72.24 109.267 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.441 ' O ' ' NH1' ' A' ' 91' ' ' ARG . 34.4 mtpt -45.85 150.12 0.57 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 71.11 109.302 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -87.69 -56.23 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 73.43 109.275 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -56.83 -36.38 69.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 73.44 110.346 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.448 ' HG2' HD13 ' A' ' 9' ' ' ILE . 18.0 tt0 -55.24 -18.61 6.39 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.522 1.139 . . . . 64.24 110.365 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.464 ' O ' ' CG1' ' A' ' 95' ' ' ILE . 77.0 mtm-85 -98.75 -31.23 11.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 42.25 110.252 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -67.76 -17.94 64.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 62.14 109.288 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -91.05 -53.84 4.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 75.33 109.271 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 10' ' ' PHE . 19.0 tp -61.2 -30.5 70.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 64.13 109.379 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.464 ' CG1' ' O ' ' A' ' 91' ' ' ARG . 61.7 mt -83.43 -13.59 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 73.24 109.317 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -86.63 -37.85 17.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 61.14 109.282 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.885 ' HA ' HG12 ' A' ' 3' ' ' VAL . 0.6 OUTLIER -81.41 -35.15 31.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 74.52 110.988 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.911 ' CD2' HG11 ' A' ' 20' ' ' VAL . 20.4 mt -72.42 -33.97 67.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.415 1.072 . . . . 61.35 109.316 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.591 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 14.0 pttp -76.17 -32.95 59.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 74.1 109.216 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.8 ttpp -86.63 -23.39 25.7 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.476 1.11 . . . . 72.11 109.234 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.564 ' HB2' ' O ' ' A' ' 97' ' ' TYR . . . -69.89 -28.26 65.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 75.14 109.278 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.659 HG21 ' HB3' ' A' ' 35' ' ' LEU . 35.2 p -104.24 13.66 31.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 73.13 110.362 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -104.84 -47.28 4.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 70.44 109.262 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 74.3 110.3 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.937 ' O2A' HD13 ' A' ' 35' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.012 -0.835 . . . . 52.2 111.012 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -75.5 -179.41 4.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 0.73 . . . . 63.42 109.276 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.709 HG23 ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -110.34 -50.78 6.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.541 1.151 . . . . 75.34 109.214 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -47.56 -37.71 12.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 73.12 110.322 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.668 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.2 mptm? -64.74 -34.79 79.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 75.51 109.326 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -91.38 -11.32 61.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.456 1.098 . . . . 72.04 110.958 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.576 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 18.1 tttt -76.29 -22.09 55.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.413 0.714 . . . . 74.43 109.24 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -93.74 -22.3 18.8 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.554 1.158 . . . . 60.43 109.348 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.668 HD12 ' O ' ' A' ' 5' ' ' LYS . 13.9 mt -91.12 -16.78 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 74.32 109.298 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.69 ' CE1' HD21 ' A' ' 98' ' ' LEU . 19.7 t80 -84.6 -27.68 27.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 72.24 111.063 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 15' ' ' SER . 46.8 mt -83.93 -68.63 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 74.44 109.334 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' ILE . 40.7 mmm -37.81 -30.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 65.42 110.973 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.532 ' HZ3' HG12 ' A' ' 85' ' ' ILE . 10.2 mtpp -101.93 -61.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 64.41 109.292 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.401 ' HA ' HMC3 ' A' ' 500' ' ' HEC . 1.6 m -100.03 66.76 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 32.54 108.259 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.5 t -105.6 144.69 32.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 63.31 109.969 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 15' ' ' SER . 82.8 mt-30 38.96 34.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 65.25 110.286 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.0 m -133.46 -69.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 75.41 108.305 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.576 ' HD1' HD13 ' A' ' 32' ' ' LEU . 41.2 m-70 -98.33 112.03 24.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 64.33 109.597 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 p -87.58 162.84 16.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.419 1.075 . . . . 63.55 110.434 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.501 ' CG1' ' CZ ' ' A' ' 10' ' ' PHE . 1.5 m -136.16 15.83 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 62.12 109.27 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -92.82 140.52 29.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 55.24 110.296 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.465 ' HG2' ' CE1' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -56.25 -59.07 5.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.444 1.09 . . . . 73.14 109.295 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.09 -11.6 84.71 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.504 1.127 . . . . 60.4 111.003 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -42.57 142.85 1.44 Allowed Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.014 -0.834 . . . . 42.54 111.014 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.4 pttt -107.54 163.25 13.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 63.34 109.292 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.45 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 80.7 m-70 -72.72 121.37 19.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 74.52 109.563 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -100.93 -100.02 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 74.23 109.308 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.0 m -85.89 -14.45 44.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 61.25 110.415 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -159.53 -167.83 20.71 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.465 1.103 . . . . 73.33 110.934 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 148.72 35.85 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 64.11 111.02 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -84.04 129.32 34.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 54.23 109.303 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.759 ' O ' HG22 ' A' ' 102' ' ' THR . 0.5 OUTLIER -89.03 81.73 6.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.403 1.064 . . . . 74.54 109.303 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.465 ' CE1' ' HG2' ' A' ' 22' ' ' LYS . 22.7 t60 -105.45 -53.9 2.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 64.43 109.613 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' LEU . . . -102.03 32.44 7.53 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.55 1.156 . . . . 75.21 110.966 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.447 HD13 ' HG ' ' A' ' 32' ' ' LEU . 49.3 tp -40.46 -75.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.754 . . . . 70.13 109.345 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -60.29 109.53 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 61.41 110.985 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.23 38.3 4.08 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.459 1.1 . . . . 44.23 110.953 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.9 ttm-85 -146.88 134.32 20.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 74.14 110.276 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.462 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 14.2 mtmt -74.2 167.65 21.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 65.41 109.244 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.654 HG22 ' NE1' ' A' ' 59' ' ' TRP . 11.9 p -79.95 126.28 30.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.519 1.137 . . . . 75.44 110.353 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.462 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 78.75 39.94 19.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.478 1.111 . . . . 62.5 111.003 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 43' ' ' ALA . 46.9 mm-40 -104.24 -21.11 13.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 74.22 110.238 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.637 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -39.5 99.84 0.2 Allowed Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 70.23 109.3 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -74.94 58.2 4.77 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.52 1.8 . . . . 70.11 110.996 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.17 -40.32 0.03 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.52 1.138 . . . . 63.41 110.971 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.45 ' HB2' ' CD2' ' A' ' 26' ' ' HIS . 6.7 t80 -129.48 121.61 27.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.783 . . . . 73.2 111.0 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.8 m -88.28 140.29 29.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 74.42 109.994 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.637 ' OH ' ' HB2' ' A' ' 43' ' ' ALA . 2.6 m-30 -95.85 -171.62 2.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.08 . . . . 74.5 111.015 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.709 HG23 ' HE2' ' A' ' 79' ' ' LYS . 18.7 p -62.28 170.1 2.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 65.43 110.378 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.77 -15.14 59.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.605 1.191 . . . . 65.45 109.32 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.415 ' HA ' ' ND2' ' A' ' 54' ' ' ASN . . . -92.14 -15.8 27.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 73.13 109.318 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.402 ' ND2' ' O2D' ' A' ' 500' ' ' HEC . 7.7 t-20 -100.4 -30.3 11.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 72.12 109.284 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -64.9 -63.06 1.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 1.101 . . . . 75.03 109.348 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.415 ' ND2' ' HA ' ' A' ' 51' ' ' ALA . 10.5 p30 -41.08 -31.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 64.31 109.327 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.419 ' HG2' HG21 ' A' ' 40' ' ' THR . 0.8 OUTLIER -40.63 116.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 71.13 109.295 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -120.45 75.57 0.32 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 74.1 110.993 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.415 ' CD1' ' OH ' ' A' ' 74' ' ' TYR . 4.5 pt -144.13 -179.73 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.408 0.711 . . . . 74.01 109.413 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.462 ' CD1' ' HG3' ' A' ' 39' ' ' LYS . 3.8 mm -127.74 118.25 48.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 71.13 109.254 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.654 ' NE1' HG22 ' A' ' 40' ' ' THR . 71.6 m95 -61.47 151.9 31.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 75.24 108.068 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.854 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -168.54 -152.74 7.84 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.51 1.132 . . . . 64.1 110.925 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.482 ' O ' ' CG ' ' A' ' 65' ' ' MET . 1.8 tt0 -86.9 -24.64 24.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 0.747 . . . . 64.13 110.278 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -91.49 -59.17 2.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 64.11 109.33 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.457 HG21 ' O ' ' A' ' 58' ' ' ILE . 63.7 p -47.66 -29.56 3.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 73.22 110.356 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.854 HD12 ' O ' ' A' ' 60' ' ' GLY . 59.8 mt -84.86 -37.11 21.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.107 . . . . 75.52 109.318 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.482 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 2.7 mmt -56.52 -16.67 6.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 75.32 111.009 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -104.99 -62.46 1.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 74.21 110.302 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 71' ' ' PRO . 33.4 t80 -39.12 -60.25 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 73.53 111.049 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.631 HD22 HH12 ' A' ' 91' ' ' ARG . 1.6 mp -60.03 -40.23 88.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 71.44 109.322 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -59.52 -29.33 67.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 72.12 110.317 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 179.54 88.93 0.18 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 62.35 109.276 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.99 -17.35 19.65 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.53 1.805 . . . . 74.42 110.98 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -63.45 -18.45 63.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 72.43 109.335 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -108.88 6.0 24.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 55.5 109.349 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.415 ' OH ' ' CD1' ' A' ' 57' ' ' ILE . 1.7 t80 -110.04 -63.03 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 73.43 110.994 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.7 mt -126.61 83.67 64.35 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 71.04 109.353 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 119.06 5.49 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.519 1.8 . . . . 75.43 110.932 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.63 -17.67 12.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 61.2 111.02 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.416 ' OG1' ' CGD' ' A' ' 500' ' ' HEC . 8.9 t -45.19 158.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 0.74 . . . . 74.51 110.399 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.709 ' HE2' HG23 ' A' ' 49' ' ' THR . 0.9 OUTLIER -107.74 39.11 2.0 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 61.34 109.263 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.0 ttt -110.21 102.87 11.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 75.05 110.956 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.9 mm -62.01 118.77 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 73.13 109.322 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.41 ' HZ ' ' HZ1' ' A' ' 13' ' ' LYS . 8.4 t80 -172.32 178.32 2.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 64.53 111.019 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.501 HG23 ' N ' ' A' ' 84' ' ' GLY . 34.0 m -130.24 -51.5 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 72.2 109.397 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.501 ' N ' HG23 ' A' ' 83' ' ' VAL . . . 136.04 174.81 13.51 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.474 1.109 . . . . 44.21 110.978 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.532 HG12 ' HZ3' ' A' ' 13' ' ' LYS . 6.1 mt -124.56 96.71 3.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.552 0.795 . . . . 73.43 109.246 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -67.59 -23.78 65.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 72.24 109.264 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.25 110.24 13.09 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.128 . . . . 71.11 109.301 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -67.06 -34.85 78.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.591 1.182 . . . . 73.43 109.215 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -58.38 -60.69 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 73.44 110.335 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -60.7 -21.96 63.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.176 . . . . 64.24 110.288 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 1.043 ' NH2' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -79.21 -33.34 43.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 42.25 110.268 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -87.36 -8.23 56.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 62.14 109.258 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.499 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 37.3 m-20 -95.8 -45.03 7.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 75.33 109.313 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.53 HD22 ' CD1' ' A' ' 98' ' ' LEU . 2.3 tt -54.69 -42.34 71.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 64.13 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 1.043 HD11 ' NH2' ' A' ' 91' ' ' ARG . 58.0 mt -61.41 -42.06 92.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 73.24 109.309 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -48.05 -50.53 27.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 61.14 109.297 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.709 ' CD1' HG23 ' A' ' 3' ' ' VAL . 1.9 t80 -70.92 -60.14 2.4 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.544 1.152 . . . . 74.52 111.018 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.704 ' O ' HG23 ' A' ' 102' ' ' THR . 15.4 mt -40.48 -35.26 0.43 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 61.35 109.257 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -62.68 -53.41 54.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 74.1 109.289 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 97' ' ' TYR . 8.3 ttmm -71.76 -14.59 62.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 72.11 109.236 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.554 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -86.15 -31.83 21.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 75.14 109.285 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.759 HG22 ' O ' ' A' ' 32' ' ' LEU . 24.6 p -113.07 29.37 8.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 73.13 110.41 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -116.61 -42.72 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 70.44 109.333 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 74.3 110.312 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.768 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.004 -0.838 . . . . 52.2 111.004 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -68.36 134.47 50.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.521 0.777 . . . . 63.42 109.259 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.0 OUTLIER -79.11 -38.85 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 75.34 109.298 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -51.46 -49.31 61.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 73.12 110.294 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.667 ' O ' HD12 ' A' ' 9' ' ' ILE . 31.4 mmtm -55.22 -23.93 24.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 75.51 109.328 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.403 ' O ' ' CB ' ' A' ' 10' ' ' PHE . . . -100.1 -17.68 24.3 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.486 1.116 . . . . 72.04 111.029 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.533 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 13.5 tptm -64.72 -54.93 23.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 0.786 . . . . 74.43 109.329 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.406 ' HA ' HD12 ' A' ' 11' ' ' ILE . 50.7 mmtt -59.1 -56.35 23.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 60.43 109.304 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.667 HD12 ' O ' ' A' ' 5' ' ' LYS . 59.7 mt -50.64 -44.25 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 74.32 109.335 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.811 ' CD1' HD21 ' A' ' 98' ' ' LEU . 18.6 t80 -63.45 -24.47 67.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 72.24 110.969 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.468 HG23 ' HB2' ' A' ' 15' ' ' SER . 34.8 mt -83.65 -67.24 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 74.44 109.324 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.3 ttp -45.27 -25.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 65.42 110.99 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.58 ' HZ1' HD11 ' A' ' 85' ' ' ILE . 4.8 mtpm? -103.4 -36.79 7.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.405 1.066 . . . . 64.41 109.319 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -132.72 81.68 1.96 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 32.54 108.364 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.468 ' HB2' HG23 ' A' ' 11' ' ' ILE . 6.0 t -113.49 133.28 55.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 63.31 109.95 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.426 ' CG ' ' O ' ' A' ' 15' ' ' SER . 16.4 pt20 43.27 31.76 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 65.25 110.308 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.19 -47.23 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 75.41 108.281 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -109.29 136.9 47.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 64.33 109.601 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.3 p -109.0 147.5 32.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 63.55 110.335 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.2 m -133.18 13.97 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 62.12 109.25 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -75.14 151.81 38.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 55.24 110.262 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.487 ' CE ' ' O ' ' A' ' 104' ' ' GLU . 5.6 mmmm -68.51 78.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 73.14 109.299 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.55 21.72 16.12 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.431 1.082 . . . . 60.4 111.035 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.78 172.91 0.03 OUTLIER Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.959 -0.856 . . . . 42.54 110.959 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.2 162.2 14.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 0.788 . . . . 63.34 109.318 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -99.37 134.68 41.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 74.52 109.592 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -126.83 -100.34 0.37 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 74.23 109.289 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.04 -22.18 23.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 61.25 110.423 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.9 157.47 25.35 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.483 1.114 . . . . 73.33 110.982 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 145.85 32.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.425 1.75 . . . . 64.11 111.021 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 33' ' ' HIS . 40.6 t-20 -72.79 124.82 26.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.403 1.064 . . . . 54.23 109.234 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.662 HD21 ' O1A' ' A' ' 500' ' ' HEC . 7.3 mp -95.97 43.15 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 74.54 109.331 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.449 ' N ' ' OD1' ' A' ' 31' ' ' ASN . 1.1 t-160 -69.98 -39.11 76.14 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.469 1.106 . . . . 64.43 109.62 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.499 ' HA3' HH21 ' A' ' 38' ' ' ARG . . . -102.21 24.67 30.34 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.538 1.149 . . . . 75.21 110.979 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.569 HD21 HD11 ' A' ' 64' ' ' LEU . 47.6 tp -40.54 -67.74 0.22 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.474 0.749 . . . . 70.13 109.299 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.56 ' CE2' ' HD2' ' A' ' 99' ' ' LYS . 43.6 m-85 -74.86 97.52 3.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 61.41 111.001 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.83 30.65 2.29 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.561 1.163 . . . . 44.23 110.978 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.499 HH21 ' HA3' ' A' ' 34' ' ' GLY . 53.4 ttm-85 -146.78 123.12 10.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 0.733 . . . . 74.14 110.266 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.664 ' HA ' HD13 ' A' ' 58' ' ' ILE . 7.4 tttt -64.33 170.99 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 65.41 109.315 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 57' ' ' ILE . 2.3 p -75.71 134.29 40.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 75.44 110.43 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.528 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 67.24 59.66 6.66 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 62.5 110.949 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 44' ' ' PRO . 18.2 mm100 -113.69 -38.49 4.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 0.776 . . . . 74.22 110.329 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.446 ' CB ' ' OH ' ' A' ' 48' ' ' TYR . . . -39.56 99.94 0.2 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 70.23 109.263 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.411 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -75.02 -0.56 10.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.797 . . . . 70.11 110.978 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.68 -8.04 49.73 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.509 1.13 . . . . 63.41 111.018 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -166.05 120.77 1.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.748 . . . . 73.2 111.011 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.1 m -92.07 146.43 23.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 74.42 110.04 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.623 ' CD1' ' N ' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -102.2 -175.17 2.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 74.5 110.997 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.702 HG23 ' HE2' ' A' ' 79' ' ' LYS . 3.1 p -67.96 152.72 45.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 65.43 110.465 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.537 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -56.76 -24.13 47.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.158 . . . . 65.45 109.31 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.92 -51.6 66.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 73.13 109.321 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 55' ' ' LYS . 15.1 t-20 -74.77 -56.93 4.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 72.12 109.329 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.7 tttm -40.77 -57.22 1.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 75.03 109.228 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.537 ' ND2' ' O ' ' A' ' 50' ' ' ALA . 20.4 m-20 -41.86 -43.0 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 64.31 109.301 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' ASN . 9.0 tptt -47.2 145.57 2.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 71.13 109.289 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.63 75.31 0.32 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.559 1.162 . . . . 74.1 110.917 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.473 ' O ' HG23 ' A' ' 40' ' ' THR . 2.7 pp -151.53 159.02 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.545 0.791 . . . . 74.01 109.319 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.664 HD13 ' HA ' ' A' ' 39' ' ' LYS . 7.1 mm -96.22 146.43 7.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 71.13 109.31 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -84.98 166.44 16.74 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.017 -1.105 . . . . 75.24 108.017 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.787 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -176.87 -154.97 12.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.519 1.137 . . . . 64.1 111.013 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -89.26 -23.77 22.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.465 0.744 . . . . 64.13 110.296 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -88.71 -60.03 2.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 64.11 109.338 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.4 p -48.0 -25.37 1.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 73.22 110.38 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.787 HD12 ' O ' ' A' ' 60' ' ' GLY . 36.9 mt -86.7 -39.06 16.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 75.52 109.308 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.8 mmt -56.13 -19.05 11.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 75.32 110.936 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -102.43 -34.3 9.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 74.21 110.292 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.619 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 13.7 t80 -69.79 -61.05 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 73.53 111.015 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mt -42.33 -41.54 2.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 71.44 109.353 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -54.89 -46.02 74.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 72.12 110.313 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 67' ' ' TYR . 1.1 p30 -156.31 76.19 4.58 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.606 1.191 . . . . 62.35 109.271 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.619 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.03 -4.44 15.4 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.565 1.824 . . . . 74.42 111.025 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.24 -21.65 23.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 72.43 109.261 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 74' ' ' TYR . 0.1 OUTLIER -92.84 -32.62 14.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 55.5 109.279 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.408 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 1.2 t80 -62.4 -43.54 98.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 73.43 110.926 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.7 mt -139.13 90.17 12.06 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.152 . . . . 71.04 109.254 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 138.07 22.47 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.51 1.795 . . . . 75.43 111.048 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.76 11.29 71.1 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 61.2 111.015 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.4 ' OG1' ' CGD' ' A' ' 500' ' ' HEC . 7.9 t -70.98 169.47 14.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 74.51 110.391 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.702 ' HE2' HG23 ' A' ' 49' ' ' THR . 24.5 mttm -75.82 -28.9 58.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 61.34 109.311 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.534 ' CE ' ' NA ' ' A' ' 500' ' ' HEC . 4.2 tpp -43.06 133.23 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 75.05 110.976 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 27.2 mt -106.27 -28.44 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 73.13 109.348 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.558 ' CZ ' ' O ' ' A' ' 83' ' ' VAL . 51.3 t80 -59.53 166.92 2.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 64.53 111.052 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.558 ' O ' ' CZ ' ' A' ' 82' ' ' PHE . 26.1 m -120.15 139.55 47.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.573 1.171 . . . . 72.2 109.343 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -39.03 155.72 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.435 1.084 . . . . 44.21 110.997 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.58 HD11 ' HZ1' ' A' ' 13' ' ' LYS . 77.3 mt -82.41 165.83 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 73.43 109.286 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.508 ' N ' HG22 ' A' ' 85' ' ' ILE . 9.2 ptmt -109.17 -37.91 5.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 72.24 109.346 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -93.65 144.75 25.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 71.11 109.26 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.1 ptmm? -89.97 -38.34 13.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 73.43 109.346 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -57.35 -24.24 53.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 73.44 110.256 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -84.09 -23.16 30.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 64.24 110.304 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -73.28 -37.2 66.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 42.25 110.284 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 96' ' ' ALA . . . -70.33 -50.54 38.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.447 1.092 . . . . 62.14 109.342 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.514 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 7.0 m-20 -55.42 -49.58 72.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 75.33 109.376 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.551 HD12 HG22 ' A' ' 9' ' ' ILE . 2.1 tt -62.4 -42.65 99.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.393 1.058 . . . . 64.13 109.278 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 57.7 mt -71.39 -15.35 18.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.548 1.155 . . . . 73.24 109.339 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -76.88 -27.88 55.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 61.14 109.303 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.551 ' CE1' ' HB2' ' A' ' 101' ' ' ALA . 3.6 t80 -96.84 -31.1 12.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.068 . . . . 74.52 111.007 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.811 HD21 ' CD1' ' A' ' 10' ' ' PHE . 16.0 mt -68.07 -11.84 59.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 61.35 109.307 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.56 ' HD2' ' CE2' ' A' ' 36' ' ' PHE . 3.6 tptm -98.31 -55.44 2.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 74.1 109.246 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.32 -37.59 72.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 72.11 109.278 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.551 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -69.44 -44.18 71.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 75.14 109.299 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 32' ' ' LEU . 10.9 p -98.22 41.74 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 73.13 110.443 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -126.83 -52.97 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 70.44 109.293 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.487 ' O ' ' CE ' ' A' ' 22' ' ' LYS . 18.9 mt-10 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 74.3 110.284 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.789 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.023 -0.831 . . . . 52.2 111.023 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -73.85 -179.65 3.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 63.42 109.264 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.781 HG23 ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -115.82 -52.45 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 75.34 109.291 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -47.47 -35.22 8.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 73.12 110.293 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.472 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -66.8 -35.93 81.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 75.51 109.265 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -90.88 -11.49 61.65 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.546 1.154 . . . . 72.04 111.057 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.569 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 25.7 tttt -72.27 -21.67 61.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 74.43 109.26 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -86.33 -43.68 12.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.564 1.165 . . . . 60.43 109.294 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.619 HD12 ' OD2' ' A' ' 93' ' ' ASP . 8.8 mt -67.94 -13.88 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 74.32 109.302 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.458 ' CD1' HD21 ' A' ' 98' ' ' LEU . 10.0 t80 -86.84 -25.13 24.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 72.24 110.976 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 13' ' ' LYS . 96.1 mt -82.79 -70.72 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 74.44 109.319 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.2 mmm -38.47 -30.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 65.42 110.975 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 11' ' ' ILE . 29.0 mttt -102.16 -65.69 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 64.41 109.284 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -94.82 61.47 2.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 32.54 108.327 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.1 p -67.77 -83.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 63.31 109.95 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -115.85 54.3 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 65.25 110.361 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.498 ' SG ' HG21 ' A' ' 28' ' ' THR . 1.2 m -127.36 -55.17 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 75.41 108.259 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.629 ' ND1' HD11 ' A' ' 32' ' ' LEU . 31.3 m-70 -104.54 158.36 16.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 64.33 109.608 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.9 p -130.65 163.61 26.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 63.55 110.34 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.487 HG23 ' N ' ' A' ' 21' ' ' GLU . 26.8 m -134.23 -52.58 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 62.12 109.28 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.487 ' N ' HG23 ' A' ' 20' ' ' VAL . 9.4 pt-20 -40.14 137.94 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 55.24 110.326 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.514 ' HE2' ' CE1' ' A' ' 33' ' ' HIS . 21.4 tptp -44.61 -43.36 8.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 73.14 109.282 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -91.07 36.43 3.62 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.497 1.123 . . . . 60.4 111.027 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 21' ' ' GLU . . . -104.02 79.92 0.31 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.0 -0.84 . . . . 42.54 111.0 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.475 ' CD ' ' O ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -54.54 -174.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 0.764 . . . . 63.34 109.286 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 6.7 m-70 -90.46 128.13 36.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 74.52 109.572 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.1 -77.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 74.23 109.312 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.498 HG21 ' SG ' ' A' ' 17' ' ' CYS . 5.9 m -101.29 -21.34 14.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 61.25 110.421 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -153.05 -168.68 17.29 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.422 1.076 . . . . 73.33 110.987 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.545 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -74.93 140.12 25.27 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.489 1.784 . . . . 64.11 110.981 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 32' ' ' LEU . 4.6 t-20 -73.6 149.57 41.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 54.23 109.336 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.923 ' O ' HG22 ' A' ' 102' ' ' THR . 2.8 mp -106.2 88.77 2.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.452 1.095 . . . . 74.54 109.364 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.514 ' CE1' ' HE2' ' A' ' 22' ' ' LYS . 24.5 t-80 -113.59 -54.84 2.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.47 1.106 . . . . 64.43 109.645 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.659 ' HA3' HH21 ' A' ' 38' ' ' ARG . . . -102.12 24.75 30.14 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.411 1.069 . . . . 75.21 110.964 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.839 HD21 HD11 ' A' ' 64' ' ' LEU . 56.7 tp -40.52 -76.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 70.13 109.295 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.558 ' CD2' ' NZ ' ' A' ' 99' ' ' LYS . 52.1 m-85 -58.62 102.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 61.41 111.071 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.2 27.94 4.86 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 44.23 111.037 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.659 HH21 ' HA3' ' A' ' 34' ' ' GLY . 43.3 ttm-85 -146.87 149.55 33.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 0.738 . . . . 74.14 110.29 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.447 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 16.0 mtmt -88.11 -174.91 4.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 65.41 109.292 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 40.4 p -83.18 173.52 11.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 75.44 110.373 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.528 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 39.02 51.84 2.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.448 1.093 . . . . 62.5 110.987 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.43 ' CB ' ' HD3' ' A' ' 38' ' ' ARG . 90.9 mm-40 -104.59 -46.91 4.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 0.776 . . . . 74.22 110.319 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.606 ' HB3' ' OH ' ' A' ' 48' ' ' TYR . . . -39.76 100.04 0.21 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.147 . . . . 70.23 109.306 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.1 Cg_endo -74.99 0.23 9.16 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.602 1.843 . . . . 70.11 110.999 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.75 -14.12 38.27 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.456 1.098 . . . . 63.41 110.957 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.558 ' HB2' ' CD2' ' A' ' 26' ' ' HIS . 18.5 t80 -150.26 146.01 26.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.605 0.827 . . . . 73.2 110.997 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.6 m -113.18 139.54 48.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 74.42 109.981 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.606 ' OH ' ' HB3' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -100.81 -171.92 2.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 74.5 110.986 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.488 HG23 ' CD ' ' A' ' 79' ' ' LYS . 2.3 p -63.65 177.1 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 65.43 110.404 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.67 -14.45 48.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 65.45 109.263 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.28 -31.08 20.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 73.13 109.333 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.448 ' ND2' ' O1D' ' A' ' 500' ' ' HEC . 8.8 t-20 -74.94 -59.17 2.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.125 . . . . 72.12 109.322 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' ASN . 4.8 tttm -49.95 -52.71 31.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.573 1.171 . . . . 75.03 109.324 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' LYS . 3.3 m-20 -40.59 -36.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 64.31 109.294 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -62.52 143.25 57.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 71.13 109.349 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.5 72.7 0.41 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.424 1.078 . . . . 74.1 111.01 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.538 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.1 pp -135.51 154.31 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.416 0.715 . . . . 74.01 109.293 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.447 ' CD1' ' HG3' ' A' ' 39' ' ' LYS . 3.4 mm -87.92 131.47 35.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 71.13 109.302 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.56 ' CZ2' HAA1 ' A' ' 500' ' ' HEC . 36.9 m95 -71.75 138.25 48.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.976 -1.12 . . . . 75.24 107.976 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.598 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -151.87 -151.67 5.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.538 1.149 . . . . 64.1 111.003 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 65' ' ' MET . 27.6 mt-10 -89.3 -39.61 13.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 0.726 . . . . 64.13 110.337 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -75.29 -51.15 13.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 64.11 109.275 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 p -57.23 -30.23 64.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 73.22 110.444 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.839 HD11 HD21 ' A' ' 35' ' ' LEU . 84.0 mt -89.06 -33.25 17.2 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.119 . . . . 75.52 109.285 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.474 ' CB ' ' O ' ' A' ' 61' ' ' GLU . 8.2 ttm -72.86 -15.36 61.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 75.32 111.019 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -107.94 -23.82 11.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 74.21 110.256 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 4.2 t80 -84.11 -42.19 16.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 73.53 111.016 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 68' ' ' LEU . 16.4 mt -59.41 -46.78 87.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 71.44 109.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 91' ' ' ARG . 14.4 tt0 -42.21 -30.37 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 72.12 110.266 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -173.18 92.61 0.37 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 62.35 109.24 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.566 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.96 -0.07 9.51 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.45 1.763 . . . . 74.42 111.006 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -93.27 -16.99 24.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.077 . . . . 72.43 109.309 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -93.68 -57.52 2.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 55.5 109.312 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -52.05 -26.54 11.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 73.43 110.975 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.6 mt -148.21 90.35 5.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 71.04 109.349 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 121.13 6.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.537 1.809 . . . . 75.43 111.011 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.87 -3.51 33.92 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.474 1.109 . . . . 61.2 110.966 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.488 ' OG1' ' CGD' ' A' ' 500' ' ' HEC . 10.1 t -49.03 177.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 0.746 . . . . 74.51 110.407 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.488 ' CD ' HG23 ' A' ' 49' ' ' THR . 0.0 OUTLIER -126.91 24.26 6.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.632 1.207 . . . . 61.34 109.324 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.9 ttt -99.18 112.14 24.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 75.05 110.964 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.0 mt -70.47 114.72 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 73.13 109.266 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -153.22 163.01 40.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 64.53 110.993 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.47 HG23 ' N ' ' A' ' 84' ' ' GLY . 16.0 m -114.01 -49.52 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 72.2 109.308 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.47 ' N ' HG23 ' A' ' 83' ' ' VAL . . . 137.77 169.01 11.5 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.468 1.105 . . . . 44.21 111.012 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.818 HG22 ' HB2' ' A' ' 87' ' ' LYS . 9.1 mt -129.78 -50.61 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 73.43 109.326 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? 55.62 20.83 4.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 72.24 109.29 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.818 ' HB2' HG22 ' A' ' 85' ' ' ILE . 1.6 mmmp? -110.28 153.57 24.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 71.11 109.264 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -90.38 -64.68 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 73.43 109.265 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 93' ' ' ASP . 2.4 mp0 -57.1 -53.39 58.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 73.44 110.281 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.56 ' HG3' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -48.54 -24.22 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 64.24 110.317 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.456 ' CZ ' ' HB2' ' A' ' 69' ' ' GLU . 39.3 mtm-85 -100.34 -23.76 14.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 42.25 110.301 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 89' ' ' GLU . . . -89.67 -4.06 57.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 62.14 109.255 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.619 ' OD2' HD12 ' A' ' 9' ' ' ILE . 1.2 p-10 -106.53 -26.93 11.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 75.33 109.246 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.443 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 2.6 tm? -78.15 -42.65 31.06 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.563 1.164 . . . . 64.13 109.345 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 65.9 mt -66.6 -38.71 82.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 73.24 109.311 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.77 -55.2 32.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 61.14 109.257 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.781 ' CD1' HG23 ' A' ' 3' ' ' VAL . 0.7 OUTLIER -61.33 -60.45 3.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 74.52 110.979 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.698 ' O ' HG23 ' A' ' 102' ' ' THR . 14.2 mt -40.65 -48.26 2.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 61.35 109.307 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.558 ' NZ ' ' CD2' ' A' ' 36' ' ' PHE . 3.2 tptt -48.09 -49.13 32.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 74.1 109.324 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 97' ' ' TYR . 9.4 ttmm -73.25 -25.04 60.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 72.11 109.329 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.579 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -77.3 -19.79 55.91 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.419 1.074 . . . . 75.14 109.305 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.923 HG22 ' O ' ' A' ' 32' ' ' LEU . 35.7 p -113.68 24.07 12.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 73.13 110.479 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -108.92 -16.3 14.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 70.44 109.269 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.502 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 16.7 mt-10 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.447 1.092 . . . . 74.3 110.306 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.777 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.015 -0.834 . . . . 52.2 111.015 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.62 -177.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 63.42 109.237 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 6' ' ' GLY . 0.2 OUTLIER -117.96 -50.86 4.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 75.34 109.324 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -50.96 -23.06 2.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 73.12 110.314 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -76.27 -35.57 58.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 75.51 109.326 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -94.28 -11.1 57.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.526 1.141 . . . . 72.04 111.016 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.565 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 12.9 tptm -72.76 -24.13 60.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 74.43 109.284 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.7 -43.73 15.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 60.43 109.328 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.7 mt -66.01 -11.37 12.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 74.32 109.291 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.556 ' CD1' ' HB2' ' A' ' 14' ' ' CYS . 3.9 t80 -87.02 -27.09 23.42 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.61 1.194 . . . . 72.24 111.007 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 15' ' ' SER . 20.1 mt -80.99 -68.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 74.44 109.339 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.3 mmt -40.88 -27.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 65.42 111.012 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.485 ' HD3' ' CE1' ' A' ' 82' ' ' PHE . 24.6 mttt -105.37 -71.8 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 64.41 109.297 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.556 ' HB2' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -86.87 50.61 2.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 32.54 108.3 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 11' ' ' ILE . 12.0 t -53.08 -82.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 63.31 110.042 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -120.36 58.18 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 65.25 110.261 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.418 ' HA ' ' CG2' ' A' ' 28' ' ' THR . 1.6 m -126.02 -46.59 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 75.41 108.311 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.456 ' CG ' HD12 ' A' ' 32' ' ' LEU . 88.2 m-70 -108.34 176.6 5.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 64.33 109.568 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.656 HG21 ' N ' ' A' ' 25' ' ' LYS . 2.2 p -118.76 -37.56 3.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 63.55 110.408 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.524 HG22 ' O ' ' A' ' 19' ' ' THR . 34.5 m 46.79 29.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 62.12 109.261 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.463 ' HG3' ' CA ' ' A' ' 24' ' ' GLY . 1.6 pt-20 -132.94 140.99 48.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 55.24 110.248 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -40.37 -55.43 2.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 73.14 109.299 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.7 41.03 3.07 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.462 1.102 . . . . 60.4 111.004 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.463 ' CA ' ' HG3' ' A' ' 21' ' ' GLU . . . -76.97 130.4 10.44 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 110.975 -0.85 . . . . 42.54 110.975 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.656 ' N ' HG21 ' A' ' 19' ' ' THR . 4.0 mmtm -88.23 -169.77 2.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.417 0.716 . . . . 63.34 109.274 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -120.22 115.58 23.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 74.52 109.645 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -119.61 -85.67 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 74.23 109.282 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.44 ' O ' HMD3 ' A' ' 500' ' ' HEC . 18.4 p -89.76 -44.19 10.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.394 1.058 . . . . 61.25 110.347 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -124.85 173.55 17.13 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 73.33 110.959 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.487 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 18.3 Cg_endo -74.96 142.19 27.69 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.517 1.798 . . . . 64.11 111.053 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 32' ' ' LEU . 4.3 t-20 -42.9 152.45 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 54.23 109.291 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.722 ' O ' HG22 ' A' ' 102' ' ' THR . 20.4 mt -125.68 76.95 1.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 74.54 109.318 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.433 ' N ' ' OD1' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -125.08 -43.64 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 64.43 109.59 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.408 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -101.2 31.73 8.31 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.5 1.125 . . . . 75.21 111.016 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.136 HD21 HD11 ' A' ' 64' ' ' LEU . 18.3 tp -57.59 -54.19 49.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.594 0.82 . . . . 70.13 109.315 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -76.3 122.99 25.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 61.41 111.077 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.15 43.48 8.69 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 44.23 111.006 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.408 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 28.5 ttp180 -152.99 163.98 38.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 0.742 . . . . 74.14 110.286 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.406 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 14.7 mtmt -97.96 -178.19 4.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 65.41 109.32 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 67.7 p -95.52 146.69 24.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 75.44 110.456 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.563 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 63.63 59.77 8.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.572 1.17 . . . . 62.5 111.01 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 43' ' ' ALA . 18.9 mm100 -108.85 -50.03 3.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.596 0.821 . . . . 74.22 110.272 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.65 ' HB3' ' OH ' ' A' ' 48' ' ' TYR . . . -39.48 99.93 0.2 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 70.23 109.286 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -75.0 0.14 9.27 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.461 1.769 . . . . 70.11 110.958 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.29 -23.07 17.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 63.41 110.937 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.514 ' O ' ' CE1' ' A' ' 48' ' ' TYR . 8.4 t80 -139.78 115.28 9.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 0.757 . . . . 73.2 111.04 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.3 m -89.03 123.45 33.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 74.42 110.002 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.65 ' OH ' ' HB3' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -84.31 -170.49 3.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.575 1.172 . . . . 74.5 110.991 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.54 HG23 ' NZ ' ' A' ' 79' ' ' LYS . 2.7 p -72.8 168.95 17.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 65.43 110.451 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.526 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -76.69 -20.65 56.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 65.45 109.276 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.568 ' HB1' ' O ' ' A' ' 76' ' ' PRO . . . -70.54 -28.72 65.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 73.13 109.293 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -96.74 -54.04 3.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 72.12 109.269 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.0 tttp -43.71 -50.53 7.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 75.03 109.263 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 50' ' ' ALA . 38.3 m-20 -53.16 -40.2 64.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 64.31 109.31 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 52' ' ' ASN . 15.5 tptp -43.62 141.16 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 71.13 109.363 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.472 ' O ' HG23 ' A' ' 57' ' ' ILE . . . -142.62 81.97 0.23 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.415 1.072 . . . . 74.1 110.995 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.507 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.5 pp -155.3 156.9 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 74.01 109.285 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.0 mm -84.79 138.64 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.158 . . . . 71.13 109.254 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -78.85 166.79 22.03 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.982 -1.118 . . . . 75.24 107.982 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 164.49 159.68 11.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.095 . . . . 64.1 111.0 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.708 ' HB2' HG21 ' A' ' 95' ' ' ILE . 5.6 pt-20 -54.06 -32.72 55.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 0.788 . . . . 64.13 110.259 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.91 -39.91 83.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 64.11 109.326 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.6 p -81.14 -19.58 43.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 73.22 110.437 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.136 HD11 HD21 ' A' ' 35' ' ' LEU . 72.9 mt -79.65 -24.59 41.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.12 . . . . 75.52 109.28 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.8 tpt -63.08 -61.38 2.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.177 . . . . 75.32 111.014 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.98 -37.13 86.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 74.21 110.31 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.402 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 67.9 t80 -60.11 -65.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 73.53 110.99 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.5 mt -52.48 -28.84 21.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 71.44 109.353 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -70.05 -38.45 75.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 72.12 110.277 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -162.97 80.2 1.67 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 62.35 109.272 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.402 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -75.04 -1.62 11.47 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.499 1.789 . . . . 74.42 111.018 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.74 -15.91 52.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 72.43 109.299 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.08 -41.0 5.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 55.5 109.343 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -63.68 -37.8 88.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 73.43 111.036 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.485 HG22 ' HB ' ' A' ' 78' ' ' THR . 4.1 mm -133.28 85.89 43.02 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 71.04 109.339 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.568 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -75.01 106.56 2.3 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.597 1.84 . . . . 75.43 110.996 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.2 41.29 2.1 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.535 1.147 . . . . 61.2 111.007 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.485 ' HB ' HG22 ' A' ' 75' ' ' ILE . 10.1 t -95.61 160.5 14.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.776 . . . . 74.51 110.384 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.86 ' O ' HD12 ' A' ' 81' ' ' ILE . 16.3 mtmm -92.09 -17.16 25.38 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.454 1.096 . . . . 61.34 109.306 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 7.0 ttt -67.63 102.37 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 75.05 111.043 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.86 HD12 ' O ' ' A' ' 79' ' ' LYS . 2.4 mp -74.71 93.15 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.514 1.134 . . . . 73.13 109.33 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.485 ' CE1' ' HD3' ' A' ' 13' ' ' LYS . 11.2 t80 -128.97 130.07 46.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 64.53 110.981 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.1 m -76.51 -38.65 32.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 72.2 109.302 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.19 160.7 15.5 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.429 1.081 . . . . 44.21 111.064 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.627 HD12 ' HG2' ' A' ' 91' ' ' ARG . 2.2 mt -112.98 139.22 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 73.43 109.314 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.15 -30.53 11.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.107 . . . . 72.24 109.324 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.412 ' CB ' ' HB2' ' A' ' 90' ' ' GLU . 14.1 mmmt -71.73 135.28 46.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.17 . . . . 71.11 109.32 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -79.88 -40.83 27.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 73.43 109.313 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -69.54 -43.01 73.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 73.44 110.255 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.412 ' HB2' ' CB ' ' A' ' 87' ' ' LYS . 22.4 tt0 -49.94 -24.02 2.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 64.24 110.233 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.627 ' HG2' HD12 ' A' ' 85' ' ' ILE . 92.3 mtm-85 -97.22 -42.14 7.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 42.25 110.302 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.89 -34.49 54.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 62.14 109.333 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.766 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 3.8 t0 -74.42 -59.36 2.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 75.33 109.285 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.802 HD21 HBB3 ' A' ' 500' ' ' HEC . 18.8 tp -43.19 -65.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 64.13 109.307 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.708 HG21 ' HB2' ' A' ' 61' ' ' GLU . 19.8 mt -40.99 -40.96 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 73.24 109.341 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.766 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -54.57 -59.2 5.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 61.14 109.299 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.629 ' CE1' ' HB2' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -60.66 -57.35 13.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 74.52 110.972 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.633 HD11 ' CMB' ' A' ' 500' ' ' HEC . 11.0 mt -51.38 -30.29 18.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.15 . . . . 61.35 109.327 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 61.4 tttp -71.27 -32.91 69.27 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.454 1.096 . . . . 74.1 109.312 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -89.39 -16.41 31.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 72.11 109.279 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.629 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -81.34 -45.48 16.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 75.14 109.256 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 32' ' ' LEU . 21.1 p -90.68 25.59 2.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 73.13 110.417 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -110.75 -29.23 8.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 70.44 109.326 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 74.3 110.326 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.802 HBB3 HD21 ' A' ' 94' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.993 -0.843 . . . . 52.2 110.993 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -64.38 133.08 51.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 0.785 . . . . 63.42 109.317 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 6' ' ' GLY . 1.1 m -78.44 -41.74 25.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.158 . . . . 75.34 109.279 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -45.16 -47.31 12.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 73.12 110.26 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.666 ' O ' HD12 ' A' ' 9' ' ' ILE . 13.6 mptt -57.0 -35.32 69.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 75.51 109.296 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.465 ' O ' ' CB ' ' A' ' 10' ' ' PHE . . . -88.08 -13.82 63.54 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.133 . . . . 72.04 111.023 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.573 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 16.0 ttpp -76.48 -41.26 47.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 0.779 . . . . 74.43 109.281 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.405 ' NZ ' ' HA ' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -85.19 -15.64 42.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 60.43 109.365 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.666 HD12 ' O ' ' A' ' 5' ' ' LYS . 93.2 mt -93.73 -24.66 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 74.32 109.301 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.467 ' CD1' HD21 ' A' ' 98' ' ' LEU . 7.8 t80 -73.31 -20.08 60.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 72.24 110.968 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.3 mt -83.63 -69.47 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 74.44 109.206 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -48.06 -25.9 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 65.42 111.002 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -98.0 -35.68 10.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 64.41 109.286 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -135.26 81.43 1.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 32.54 108.302 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.0 t -114.12 138.35 50.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 63.31 110.041 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 40.03 39.11 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 65.25 110.3 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -134.47 -49.7 0.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 75.41 108.259 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -115.61 162.15 17.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.406 1.066 . . . . 64.33 109.573 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.826 HG21 ' O ' ' A' ' 25' ' ' LYS . 39.5 p -130.39 158.37 40.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.172 . . . . 63.55 110.384 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 21' ' ' GLU . 3.8 m -132.43 -47.94 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 62.12 109.338 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.438 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 2.8 pt-20 -70.21 148.51 48.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 55.24 110.275 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -55.34 -50.7 68.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 73.14 109.277 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.21 -33.15 37.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.107 . . . . 60.4 110.969 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.94 94.25 0.98 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.966 -0.854 . . . . 42.54 110.966 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.826 ' O ' HG21 ' A' ' 19' ' ' THR . 0.0 OUTLIER -68.09 164.57 19.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 63.34 109.384 179.902 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.513 ' CD2' ' HB2' ' A' ' 31' ' ' ASN . 8.1 m170 -68.33 131.59 45.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 74.52 109.568 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -119.17 -101.35 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 74.23 109.253 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.6 m -69.39 -33.59 73.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 61.25 110.474 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.19 176.82 20.75 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.5 1.125 . . . . 73.33 110.94 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.474 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 18.6 Cg_endo -74.93 149.29 36.84 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.498 1.788 . . . . 64.11 110.968 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.513 ' HB2' ' CD2' ' A' ' 26' ' ' HIS . 9.2 t-20 -64.14 118.2 8.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 54.23 109.309 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.584 HD13 HD13 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -49.86 -26.34 3.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 74.54 109.336 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -41.32 -39.72 1.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 64.43 109.536 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.88 48.6 1.08 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.488 1.118 . . . . 75.21 110.969 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.728 HD21 ' CD1' ' A' ' 64' ' ' LEU . 16.6 tp -89.86 -74.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 0.74 . . . . 70.13 109.312 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -62.54 114.39 3.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 61.41 110.942 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.07 40.05 4.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 44.23 110.985 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.8 ttm-85 -149.14 119.61 7.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 0.781 . . . . 74.14 110.305 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -63.8 -175.11 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 65.41 109.336 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.4 p -84.62 122.19 28.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 75.44 110.39 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.541 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 72.72 57.34 5.45 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.508 1.13 . . . . 62.5 111.015 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 44' ' ' PRO . 19.3 mm100 -110.67 -36.28 5.77 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 0.795 . . . . 74.22 110.331 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.54 99.89 0.2 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 70.23 109.351 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.5 Cg_endo -74.93 -1.51 11.3 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.469 1.773 . . . . 70.11 111.018 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.52 -10.58 35.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 63.41 111.029 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -154.94 138.08 15.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.774 . . . . 73.2 110.973 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.7 m -109.63 144.17 38.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.455 1.097 . . . . 74.42 110.033 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.603 ' CD1' ' N ' ' A' ' 48' ' ' TYR . 0.7 OUTLIER -103.64 -173.92 2.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 74.5 110.978 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.0 p -66.28 179.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 65.43 110.393 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.7 11.24 20.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 65.45 109.359 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.64 -45.1 6.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 73.13 109.306 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -85.21 -46.8 10.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 72.12 109.308 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -45.35 -27.7 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 75.03 109.26 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -70.69 -47.42 59.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 64.31 109.289 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 52' ' ' ASN . 6.7 tptm -44.29 149.25 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 71.13 109.345 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.481 ' O ' HG23 ' A' ' 57' ' ' ILE . . . -142.58 78.58 0.27 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.421 1.076 . . . . 74.1 110.931 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.528 HD12 ' O ' ' A' ' 58' ' ' ILE . 2.6 pp -155.11 172.1 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 74.01 109.281 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.528 ' O ' HD12 ' A' ' 57' ' ' ILE . 3.6 mm -92.12 165.1 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 71.13 109.355 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.532 ' CE3' ' CD2' ' A' ' 64' ' ' LEU . 25.7 m95 -106.99 83.14 1.78 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.508 1.13 . . . . 75.24 108.016 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -95.17 -157.8 32.56 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.459 1.099 . . . . 64.1 110.984 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 65' ' ' MET . 1.7 mp0 -87.57 -48.4 7.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 0.751 . . . . 64.13 110.209 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -63.39 -36.65 84.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 64.11 109.298 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 48.2 p -64.0 -64.24 0.94 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 73.22 110.387 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.728 ' CD1' HD21 ' A' ' 35' ' ' LEU . 39.9 mt -56.05 -36.13 67.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 75.52 109.36 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.451 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 2.8 mmt -52.75 -19.56 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 75.32 111.027 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -105.51 -47.5 3.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 74.21 110.359 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.452 ' O ' ' N ' ' A' ' 71' ' ' PRO . 5.2 t80 -54.15 -60.88 2.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 73.53 111.022 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.761 HD13 HH12 ' A' ' 91' ' ' ARG . 4.7 mt -60.42 -23.58 64.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 71.44 109.287 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -75.74 -33.33 60.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 72.12 110.308 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -160.72 73.44 2.79 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.6 1.187 . . . . 62.35 109.3 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 67' ' ' TYR . 18.5 Cg_endo -74.97 -1.26 10.98 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 74.42 111.017 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -85.2 -17.09 38.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 72.43 109.232 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.87 -44.11 4.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 55.5 109.304 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -53.71 -51.86 61.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.165 . . . . 73.43 111.038 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.703 ' O ' HG22 ' A' ' 78' ' ' THR . 4.4 mt -137.31 88.26 17.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 71.04 109.301 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 127.26 10.56 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 75.43 111.011 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.03 -19.82 34.45 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.5 1.125 . . . . 61.2 110.982 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.703 HG22 ' O ' ' A' ' 75' ' ' ILE . 1.5 t -45.77 166.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.789 . . . . 74.51 110.421 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -88.7 -15.72 34.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 61.34 109.27 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.418 ' HG2' ' C4D' ' A' ' 500' ' ' HEC . 13.2 mmm -50.15 97.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 75.05 110.967 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 81' ' ' ILE . 22.0 mm -77.05 58.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 73.13 109.223 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.498 ' CZ ' HG13 ' A' ' 85' ' ' ILE . 1.5 t80 -107.06 153.08 23.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 64.53 110.989 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.2 m -99.76 -28.8 3.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.457 1.098 . . . . 72.2 109.327 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.72 128.41 5.56 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.575 1.172 . . . . 44.21 110.996 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.634 HG22 ' O ' ' A' ' 87' ' ' LYS . 65.2 mt -84.37 84.92 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 73.43 109.342 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -42.9 -54.58 4.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 72.24 109.338 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.634 ' O ' HG22 ' A' ' 85' ' ' ILE . 11.6 mmmt -62.74 137.01 58.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 71.11 109.278 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.46 -25.65 22.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.088 . . . . 73.43 109.28 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -58.88 -64.63 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 73.44 110.333 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.94 -20.71 17.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 64.24 110.274 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 1.068 ' NH2' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -76.94 -37.36 55.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 42.25 110.293 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 93' ' ' ASP . . . -71.56 -67.2 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 62.14 109.305 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.687 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 28.4 m-20 -40.25 -49.31 2.7 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.559 1.162 . . . . 75.33 109.326 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.861 HD11 HD12 ' A' ' 98' ' ' LEU . 1.9 tm? -44.51 -51.46 8.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 64.13 109.302 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 1.068 HD11 ' NH2' ' A' ' 91' ' ' ARG . 15.7 mt -64.21 -32.8 58.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 73.24 109.263 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -52.95 -32.49 46.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 61.14 109.272 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.573 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 7.3 t80 -95.17 -42.93 8.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 74.52 111.052 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.861 HD12 HD11 ' A' ' 94' ' ' LEU . 25.8 mt -66.51 -13.22 60.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 1.073 . . . . 61.35 109.284 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 95' ' ' ILE . 61.4 tttm -98.33 -20.24 17.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 74.1 109.274 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 37.3 tttp -100.89 -14.43 17.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 72.11 109.292 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -90.16 -28.06 19.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 75.14 109.301 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 98' ' ' LEU . 23.4 p -104.4 23.44 13.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 73.13 110.438 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -111.36 -16.99 13.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 70.44 109.279 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 74.3 110.292 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.773 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.115 -0.794 . . . . 52.2 111.115 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -71.89 131.64 43.28 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.463 0.743 . . . . 63.42 109.24 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 6' ' ' GLY . 1.2 m -77.49 -42.43 30.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 75.34 109.276 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -46.29 -43.06 15.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.622 1.201 . . . . 73.12 110.275 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.64 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.9 mptp? -59.85 -35.17 74.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 75.51 109.25 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -92.79 -6.56 63.61 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.463 1.102 . . . . 72.04 111.047 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.566 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 8.0 tttm -78.73 -60.71 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.405 0.709 . . . . 74.43 109.313 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm -60.8 -31.43 70.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 60.43 109.341 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 5' ' ' LYS . 70.6 mt -72.57 -42.0 63.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 74.32 109.326 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.545 ' CD1' HD21 ' A' ' 98' ' ' LEU . 25.6 t80 -65.12 -17.74 64.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.594 1.184 . . . . 72.24 111.037 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.456 ' O ' ' CB ' ' A' ' 15' ' ' SER . 30.8 mt -85.32 -57.92 3.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.527 1.142 . . . . 74.44 109.33 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 58.4 mtp -63.63 -11.29 24.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 65.42 110.985 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.549 ' CE ' HG23 ' A' ' 9' ' ' ILE . 37.1 mttm -113.51 -36.7 4.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 64.41 109.278 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -132.23 79.17 1.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 32.54 108.261 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.3 p -117.42 145.93 43.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 63.31 110.02 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 41.78 33.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 65.25 110.292 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -133.06 -71.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 75.41 108.279 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -96.55 140.6 30.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 64.33 109.573 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.905 HG21 ' O ' ' A' ' 25' ' ' LYS . 27.8 p -112.37 154.09 26.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 63.55 110.346 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.7 m -136.5 12.17 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.073 . . . . 62.12 109.304 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 24' ' ' GLY . 19.7 tt0 -99.44 120.45 39.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 55.24 110.281 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -42.2 -49.25 4.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 73.14 109.328 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.43 -25.4 63.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.454 1.096 . . . . 60.4 110.933 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 21' ' ' GLU . . . -43.46 167.58 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.011 -0.836 . . . . 42.54 111.011 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.905 ' O ' HG21 ' A' ' 19' ' ' THR . 0.7 OUTLIER -126.77 161.2 28.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 0.783 . . . . 63.34 109.318 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.519 ' ND1' ' HA ' ' A' ' 30' ' ' PRO . 5.3 m170 -83.34 136.19 34.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 74.52 109.587 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -122.16 -77.11 0.59 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 74.23 109.372 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.449 ' O ' HMD3 ' A' ' 500' ' ' HEC . 2.4 m -96.87 -35.84 10.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 61.25 110.341 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -134.18 169.87 22.81 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.15 . . . . 73.33 111.003 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.525 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.06 138.09 22.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.447 1.762 . . . . 64.11 110.956 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.468 ' ND2' ' CB ' ' A' ' 19' ' ' THR . 9.8 t-20 -54.48 121.3 8.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 54.23 109.308 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 19' ' ' THR . 94.8 mt -59.8 -16.75 30.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.478 1.111 . . . . 74.54 109.335 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -40.07 -46.22 2.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 64.43 109.621 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.574 ' HA3' HH21 ' A' ' 38' ' ' ARG . . . -102.1 50.14 0.97 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.628 1.205 . . . . 75.21 110.991 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.768 HD21 HD11 ' A' ' 64' ' ' LEU . 20.5 tp -88.72 -75.62 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 0.737 . . . . 70.13 109.275 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -60.76 98.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 61.41 111.025 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.64 33.58 2.23 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 44.23 110.963 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.574 HH21 ' HA3' ' A' ' 34' ' ' GLY . 38.3 ttm-85 -150.06 106.46 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 74.14 110.262 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.798 ' HE3' HD11 ' A' ' 58' ' ' ILE . 4.3 ttmt -45.03 167.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 65.41 109.262 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.731 HG22 ' NE1' ' A' ' 59' ' ' TRP . 3.2 p -79.03 109.34 13.24 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 75.44 110.453 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.544 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 92.84 60.68 1.19 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.532 1.145 . . . . 62.5 110.958 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 43' ' ' ALA . 61.1 mm-40 -118.89 -38.38 3.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 74.22 110.316 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.54 99.94 0.2 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 70.23 109.315 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -75.02 -1.45 11.24 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.516 1.798 . . . . 70.11 110.989 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.2 -21.65 14.82 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.125 . . . . 63.41 111.033 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -146.78 119.28 8.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 0.76 . . . . 73.2 110.954 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.4 m -92.19 143.76 26.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 74.42 110.039 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.58 ' CD1' ' N ' ' A' ' 48' ' ' TYR . 0.7 OUTLIER -100.91 -174.93 2.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.4 1.063 . . . . 74.5 111.035 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.42 HG23 ' HE2' ' A' ' 79' ' ' LYS . 3.3 p -57.91 175.4 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.6 1.187 . . . . 65.43 110.427 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.82 -15.92 46.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 65.45 109.303 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.73 -26.18 21.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 73.13 109.326 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -83.97 -50.78 7.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 72.12 109.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -51.83 -34.4 40.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 75.03 109.306 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -56.24 -40.6 74.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 64.31 109.281 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -52.95 137.32 32.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 71.13 109.349 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.43 76.58 0.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 74.1 111.013 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.429 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.6 pp -149.78 158.29 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 74.01 109.318 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.798 HD11 ' HE3' ' A' ' 39' ' ' LYS . 35.8 mm -88.91 126.14 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 71.13 109.282 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.731 ' NE1' HG22 ' A' ' 40' ' ' THR . 88.1 m95 -69.96 152.5 44.38 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.971 -1.122 . . . . 75.24 107.971 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.71 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -160.33 -155.4 7.74 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.54 1.15 . . . . 64.1 110.952 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.408 ' CG ' ' HD2' ' A' ' 99' ' ' LYS . 14.1 mt-10 -87.69 -32.95 18.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 64.13 110.264 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.446 ' CG ' ' N ' ' A' ' 63' ' ' THR . 2.4 p-10 -80.01 -49.39 11.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 64.11 109.275 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.446 ' N ' ' CG ' ' A' ' 62' ' ' ASP . 18.7 p -61.37 -18.89 60.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 73.22 110.409 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.768 HD11 HD21 ' A' ' 35' ' ' LEU . 20.8 mt -90.57 -47.39 7.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 75.52 109.308 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 tpt -44.17 -38.01 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 75.32 110.955 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 69' ' ' GLU . 64.8 tt0 -79.25 -54.23 6.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 74.21 110.317 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -48.4 -30.12 4.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 73.53 110.984 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.787 HD11 HD12 ' A' ' 94' ' ' LEU . 15.9 mt -78.3 -32.67 49.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 71.44 109.294 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 66' ' ' GLU . 59.4 tt0 -69.93 -30.51 67.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 72.12 110.294 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -170.91 85.2 0.51 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 62.35 109.339 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -33.79 4.31 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.459 1.768 . . . . 74.42 111.059 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.454 ' HA ' ' CE ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -58.69 -29.58 66.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 72.43 109.317 179.889 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.468 ' HZ3' ' HB3' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -81.57 -58.68 2.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 55.5 109.285 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -42.4 -31.83 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 73.43 111.032 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.56 ' O ' HG22 ' A' ' 78' ' ' THR . 3.2 mt -142.75 90.33 7.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 71.04 109.278 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 116.62 4.64 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.575 1.829 . . . . 75.43 110.992 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.75 -8.15 31.86 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 61.2 111.013 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 75' ' ' ILE . 2.1 t -51.45 171.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 74.51 110.392 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.72 ' O ' HD12 ' A' ' 81' ' ' ILE . 13.5 mtmt -96.73 -15.79 21.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 61.34 109.324 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 38.6 mmm -44.49 99.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 75.05 110.999 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 79' ' ' LYS . 1.8 mp -64.78 -19.24 25.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 73.13 109.362 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -45.69 168.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 64.53 110.967 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.6 m -117.17 -44.3 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 72.2 109.307 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.67 -179.2 17.84 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.131 . . . . 44.21 111.009 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.7 mt -132.07 148.67 32.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.557 0.798 . . . . 73.43 109.327 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -104.01 -37.42 7.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 72.24 109.296 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.504 ' HB3' ' HZ2' ' A' ' 87' ' ' LYS . 1.0 OUTLIER -76.82 108.11 9.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 71.11 109.287 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.57 -16.71 61.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 73.43 109.365 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -69.01 -51.9 34.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 73.44 110.263 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -58.73 -27.75 65.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 64.24 110.384 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 80.1 mtm-85 -69.86 -40.03 75.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 42.25 110.304 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 96' ' ' ALA . . . -65.63 -56.97 9.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 62.14 109.277 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -55.95 -39.69 72.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 75.33 109.328 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.787 HD12 HD11 ' A' ' 68' ' ' LEU . 2.9 tm? -62.9 -37.02 85.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 64.13 109.345 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.488 HD11 HD12 ' A' ' 68' ' ' LEU . 51.0 mt -83.88 -17.78 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 73.24 109.268 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 92' ' ' ALA . . . -73.84 -26.18 60.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.157 . . . . 61.14 109.307 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.566 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 5.6 t80 -97.38 -33.74 11.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 74.52 111.011 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.556 HD12 ' CD1' ' A' ' 94' ' ' LEU . 33.1 mt -74.48 -16.07 60.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 61.35 109.33 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.408 ' HD2' ' CG ' ' A' ' 61' ' ' GLU . 43.4 tttp -97.14 -15.78 20.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 74.1 109.309 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.9 tttp -105.89 -15.68 14.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 72.11 109.257 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -85.14 -45.71 11.79 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.528 1.142 . . . . 75.14 109.276 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.5 p -92.87 26.42 2.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.621 1.201 . . . . 73.13 110.458 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -133.58 15.67 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 70.44 109.339 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 74.3 110.319 179.928 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 500' ' ' HEC . . . . . 0.781 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.014 -0.834 . . . . 52.200000000000003 111.014 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -61.52 127.71 32.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 63.420000000000002 109.299 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.1 m -78.14 -35.95 20.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.598 1.186 . . . . 75.340000000000003 109.327 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 7' ' ' LYS . 28.3 mt-10 -47.97 -58.63 4.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 73.120000000000005 110.27 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.791 ' O ' HD12 ' A' ' 9' ' ' ILE . 9.1 mmtm -49.13 -24.08 1.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 75.510000000000005 109.308 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.1 -24.85 15.67 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 72.040000000000006 111.004 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.556 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 0.7 OUTLIER -71.18 -61.17 1.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 74.430000000000007 109.29 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.724 ' HA ' HD12 ' A' ' 11' ' ' ILE . 29.7 mmtt -53.18 -47.48 68.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 60.43 109.318 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.791 HD12 ' O ' ' A' ' 5' ' ' LYS . 28.1 mt -60.67 -42.03 90.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 74.319999999999993 109.304 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.514 ' CD1' HD21 ' A' ' 98' ' ' LEU . 10.0 t80 -65.14 -16.94 64.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 72.239999999999995 111.013 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.724 HD12 ' HA ' ' A' ' 8' ' ' LYS . 45.3 mt -86.48 -61.16 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 74.439999999999998 109.296 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 44.2 mtt -59.06 -15.43 13.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 65.420000000000002 110.958 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.547 ' CE ' HG23 ' A' ' 9' ' ' ILE . 51.6 mttt -109.37 -42.76 4.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 64.409999999999997 109.272 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.82 77.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 32.539999999999999 108.271 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 p -109.37 131.25 55.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 63.310000000000002 110.013 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 38.92 47.22 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 65.25 110.344 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -137.79 -50.23 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 75.409999999999997 108.28 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.538 ' O ' HG23 ' A' ' 19' ' ' THR . 10.8 m-70 -103.57 -174.8 2.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 64.329999999999998 109.587 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 18' ' ' HIS . 9.4 p -156.08 155.58 32.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 63.549999999999997 110.419 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.441 HG23 ' N ' ' A' ' 21' ' ' GLU . 16.3 m -136.45 -47.66 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 62.119999999999997 109.288 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.441 ' N ' HG23 ' A' ' 20' ' ' VAL . 1.5 pt-20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 55.240000000000002 110.291 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' O ' HG21 ' A' ' 19' ' ' THR . 8.4 ptpt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.308 -0.627 . . . . 63.340000000000003 109.308 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.403 ' CD2' ' H ' ' A' ' 26' ' ' HIS . 8.6 m-70 -67.83 125.73 27.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.118 . . . . 74.519999999999996 109.624 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -123.43 -103.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 74.230000000000004 109.322 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.9 m -69.94 -39.93 75.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 61.25 110.427 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -130.81 176.01 19.15 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 73.329999999999998 110.985 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.479 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -74.98 151.02 39.11 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 64.109999999999999 111.044 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.46 ' O ' HD23 ' A' ' 32' ' ' LEU . 8.4 t-20 -75.61 158.95 31.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 54.229999999999997 109.313 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.661 ' O ' HG22 ' A' ' 102' ' ' THR . 10.3 mt -128.61 98.9 5.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 74.540000000000006 109.283 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -118.41 -50.37 2.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 64.430000000000007 109.592 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.436 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -101.43 28.05 17.76 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.506 1.129 . . . . 75.209999999999994 110.965 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.652 HD21 HD11 ' A' ' 64' ' ' LEU . 6.3 tp -41.7 -73.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 70.129999999999995 109.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.563 ' CD1' ' HG3' ' A' ' 99' ' ' LYS . 52.9 m-85 -59.8 103.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 61.409999999999997 110.974 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.17 14.96 15.27 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.116 . . . . 44.229999999999997 110.998 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.436 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 19.3 ttp180 -137.7 137.99 38.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 74.140000000000001 110.315 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -77.32 -174.1 3.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 65.409999999999997 109.257 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 57' ' ' ILE . 20.3 p -87.8 157.35 19.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 75.439999999999998 110.408 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.525 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 60.68 39.17 96.25 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.431 1.082 . . . . 62.5 111.028 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -103.52 27.55 7.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 74.219999999999999 110.289 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.464 ' CB ' ' OH ' ' A' ' 48' ' ' TYR . . . -110.44 98.88 38.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 70.230000000000004 109.304 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 0.19 9.2 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.534 1.807 . . . . 70.109999999999999 110.992 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.44 -14.33 26.02 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.098 . . . . 63.409999999999997 110.986 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.594 ' O ' ' CE1' ' A' ' 48' ' ' TYR . 15.7 t80 -152.31 102.52 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 0.752 . . . . 73.200000000000003 110.998 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.4 m -74.85 133.65 41.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 74.420000000000002 109.978 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.594 ' CE1' ' O ' ' A' ' 46' ' ' TYR . 3.1 m-30 -93.85 -168.31 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 74.5 111.019 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 p -70.82 -175.96 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 65.430000000000007 110.398 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.92 -3.35 54.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 65.450000000000003 109.319 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -95.82 -39.33 9.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 73.129999999999995 109.335 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -80.85 -41.35 23.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 72.120000000000005 109.322 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -63.74 -15.27 58.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 75.030000000000001 109.295 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -98.0 -8.98 26.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 64.310000000000002 109.299 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -77.05 57.23 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 71.129999999999995 109.31 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.457 ' O ' ' CG2' ' A' ' 57' ' ' ILE . . . -62.77 85.93 0.05 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 74.099999999999994 110.992 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 40' ' ' THR . 2.4 pp -154.98 146.04 13.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.776 . . . . 74.010000000000005 109.298 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.6 mm -76.86 151.24 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 71.129999999999995 109.319 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.484 ' HB3' HD11 ' A' ' 35' ' ' LEU . 19.1 m95 -97.69 87.9 4.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 75.239999999999995 108.034 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -107.34 -176.88 22.65 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 64.099999999999994 111.007 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -77.93 -13.84 59.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 0.742 . . . . 64.129999999999995 110.344 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -88.96 -30.64 18.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 64.109999999999999 109.266 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 64' ' ' LEU . 63.1 p -91.06 -54.83 3.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 73.219999999999999 110.411 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.652 HD11 HD21 ' A' ' 35' ' ' LEU . 27.8 mt -40.63 -40.89 1.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 75.519999999999996 109.303 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.499 ' CE ' ' CB ' ' A' ' 91' ' ' ARG . 2.5 tpt -53.54 -68.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 75.319999999999993 110.958 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.05 -60.94 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 74.209999999999994 110.265 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.528 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 81.4 t80 -48.21 -41.19 26.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 73.530000000000001 111.012 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.044 HD12 HD11 ' A' ' 95' ' ' ILE . 18.5 mt -63.05 -33.36 75.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 71.439999999999998 109.338 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.405 ' HB2' ' NH1' ' A' ' 91' ' ' ARG . 33.6 tt0 -71.38 -39.27 71.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 72.120000000000005 110.311 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -163.06 83.91 1.45 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 62.350000000000001 109.291 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.528 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.02 -30.73 6.82 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.801 . . . . 74.420000000000002 111.024 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -51.62 -53.47 38.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 72.430000000000007 109.311 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -38.81 83.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 55.5 109.285 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -53.13 -32.04 45.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 73.430000000000007 110.981 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.5 mt -146.84 89.9 5.59 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 71.040000000000006 109.316 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 143.84 29.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.508 1.794 . . . . 75.430000000000007 110.993 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.47 23.84 74.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.554 1.159 . . . . 61.200000000000003 111.031 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.5 t -84.6 -179.66 7.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 74.510000000000005 110.441 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.45 -28.8 12.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 61.340000000000003 109.273 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 8.0 ttt -63.3 132.85 52.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 75.049999999999997 110.997 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.8 mt -112.41 128.59 68.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 73.129999999999995 109.294 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -163.48 155.93 18.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 64.530000000000001 111.033 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.5 m -98.37 -35.44 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 72.200000000000003 109.304 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 118.12 176.9 17.05 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.439 1.087 . . . . 44.210000000000001 110.999 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 14.4 mt -127.13 142.3 43.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 73.430000000000007 109.319 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -90.88 -67.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 72.239999999999995 109.337 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -51.98 133.26 32.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 71.109999999999999 109.309 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -83.68 -23.71 31.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 73.430000000000007 109.318 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.7 mp0 -70.79 -48.09 56.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 73.439999999999998 110.333 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.78 -25.26 54.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 64.239999999999995 110.328 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.499 ' CB ' ' CE ' ' A' ' 65' ' ' MET . 48.6 mtm180 -81.41 -37.31 28.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 42.25 110.295 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 96' ' ' ALA . . . -59.96 -59.25 5.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 62.140000000000001 109.279 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.443 ' HA ' ' HB3' ' A' ' 96' ' ' ALA . 14.0 m-20 -54.19 -32.9 56.85 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 75.329999999999998 109.325 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.16 -42.83 96.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 64.129999999999995 109.333 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 1.044 HD11 HD12 ' A' ' 68' ' ' LEU . 21.5 mt -83.08 -15.77 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 73.239999999999995 109.311 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.443 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . . . -77.08 -24.61 51.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 61.140000000000001 109.287 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.556 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 3.3 t80 -96.18 -47.73 5.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 74.519999999999996 110.976 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.874 ' O ' HG23 ' A' ' 102' ' ' THR . 24.3 mt -53.07 -28.96 27.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 61.350000000000001 109.318 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.563 ' HG3' ' CD1' ' A' ' 36' ' ' PHE . 76.7 tttt -72.17 -44.39 63.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 74.099999999999994 109.326 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -78.17 -15.02 59.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 72.109999999999999 109.334 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -85.8 -38.78 17.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 75.140000000000001 109.333 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.874 HG23 ' O ' ' A' ' 98' ' ' LEU . 57.1 p -79.73 -49.58 11.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 73.129999999999995 110.424 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -47.09 -54.98 9.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 70.439999999999998 109.285 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 74.299999999999997 110.241 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.021 -0.832 . . . . 52.200000000000003 111.021 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -51.49 118.68 3.48 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.485 0.756 . . . . 63.420000000000002 109.316 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.0 OUTLIER -78.72 -39.1 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 75.340000000000003 109.283 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 7' ' ' LYS . 7.1 mm-40 -48.79 -57.11 6.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 73.120000000000005 110.317 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.814 ' O ' HD12 ' A' ' 9' ' ' ILE . 4.6 mptp? -48.46 -24.46 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 75.510000000000005 109.372 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 10' ' ' PHE . . . -96.61 -24.9 12.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 72.040000000000006 111.057 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.574 ' CD ' ' CZ ' ' A' ' 97' ' ' TYR . 12.4 tptm -63.9 -37.76 88.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 0.814 . . . . 74.430000000000007 109.324 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.542 ' N ' ' CD ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -77.77 -52.53 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 60.43 109.27 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.814 HD12 ' O ' ' A' ' 5' ' ' LYS . 42.8 mt -60.09 -25.28 32.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 74.319999999999993 109.291 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.498 ' CB ' ' O ' ' A' ' 6' ' ' GLY . 10.1 t80 -66.4 -30.79 71.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 72.239999999999995 110.982 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.6 mt -81.66 -70.56 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 74.439999999999998 109.418 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 12.4 mmt -39.38 -31.36 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 65.420000000000002 111.018 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -98.25 -38.8 9.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 64.409999999999997 109.36 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.9 OUTLIER -133.23 80.95 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 32.539999999999999 108.244 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.0 p -82.07 -86.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 63.310000000000002 110.021 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -112.9 59.21 0.65 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.596 1.185 . . . . 65.25 110.334 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.421 ' HA ' ' OG1' ' A' ' 28' ' ' THR . 1.3 m -131.93 -50.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 75.409999999999997 108.278 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -112.19 167.15 10.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 64.329999999999998 109.579 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.1 p -136.26 173.85 11.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 63.549999999999997 110.408 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.499 ' HB ' ' HB1' ' A' ' 101' ' ' ALA . 33.1 m -138.2 -51.25 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 62.119999999999997 109.276 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.479 ' N ' HG23 ' A' ' 20' ' ' VAL . 5.9 pt-20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.174 . . . . 55.240000000000002 110.356 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.294 -0.632 . . . . 63.340000000000003 109.294 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -106.1 131.02 53.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 74.519999999999996 109.582 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -117.64 -99.46 0.44 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.551 1.157 . . . . 74.230000000000004 109.303 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.421 ' OG1' ' HA ' ' A' ' 17' ' ' CYS . 16.4 p -74.39 -35.46 63.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 61.25 110.461 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.49 172.95 22.53 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.49 1.119 . . . . 73.329999999999998 111.031 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.516 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -75.0 147.61 34.13 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.403 1.739 . . . . 64.109999999999999 111.042 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' A' ' 32' ' ' LEU . 7.2 t-20 -63.64 168.41 4.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 54.229999999999997 109.299 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.646 ' HB3' HG22 ' A' ' 102' ' ' THR . 8.8 mp -117.89 86.1 2.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 74.540000000000006 109.298 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -119.44 -56.36 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 64.430000000000007 109.62 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.09 25.39 27.98 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 75.209999999999994 110.97 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.797 HD21 HD11 ' A' ' 64' ' ' LEU . 17.0 tp -40.48 -74.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 70.129999999999995 109.299 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.537 ' CE1' ' HB2' ' A' ' 99' ' ' LYS . 58.1 m-85 -63.83 95.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 61.409999999999997 110.933 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.66 31.85 2.05 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.433 1.083 . . . . 44.229999999999997 111.005 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -142.39 108.24 5.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 0.737 . . . . 74.140000000000001 110.337 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.58 177.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.595 1.184 . . . . 65.409999999999997 109.277 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.0 p -77.08 162.35 27.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 75.439999999999998 110.446 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.529 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 41.2 56.59 3.29 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.517 1.136 . . . . 62.5 111.035 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 43' ' ' ALA . 41.9 mm-40 -112.27 -29.46 7.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 0.756 . . . . 74.219999999999999 110.294 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.513 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -39.44 99.85 0.2 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 70.230000000000004 109.264 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.0 Cg_endo -75.05 61.2 5.66 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.52 1.8 . . . . 70.109999999999999 110.969 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -177.6 -47.38 0.07 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.527 1.142 . . . . 63.409999999999997 110.985 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -110.88 123.75 50.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 0.722 . . . . 73.200000000000003 110.955 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.9 p -96.22 139.87 31.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 74.420000000000002 109.923 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.529 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 1.8 m-30 -96.36 -174.09 2.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 74.5 111.02 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.5 p -69.15 168.41 14.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 65.430000000000007 110.395 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.84 -15.46 61.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 65.450000000000003 109.231 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.87 -25.82 32.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.387 1.054 . . . . 73.129999999999995 109.242 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -90.58 -62.37 1.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.603 1.189 . . . . 72.120000000000005 109.361 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -40.79 -29.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 75.030000000000001 109.293 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.449 ' N ' ' C ' ' A' ' 52' ' ' ASN . 3.1 t-20 -62.5 -53.78 49.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 64.310000000000002 109.324 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' ASN . 7.1 tptt -40.52 145.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 71.129999999999995 109.339 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.29 78.87 0.27 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.463 1.102 . . . . 74.099999999999994 110.99 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.9 pp -149.88 172.52 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.742 . . . . 74.010000000000005 109.268 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.2 mm -104.58 148.43 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 71.129999999999995 109.315 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -93.14 146.82 23.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 75.239999999999995 108.021 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.723 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -165.45 -145.56 4.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.122 . . . . 64.099999999999994 111.044 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -86.98 -47.18 9.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 0.747 . . . . 64.129999999999995 110.336 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -68.46 -64.13 0.92 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 64.109999999999999 109.294 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.403 ' H ' HG23 ' A' ' 63' ' ' THR . 71.8 p -41.2 -54.22 2.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 73.219999999999999 110.419 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.797 HD11 HD21 ' A' ' 35' ' ' LEU . 69.2 mt -59.25 -60.0 4.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 75.519999999999996 109.312 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.464 ' CE ' ' HB2' ' A' ' 91' ' ' ARG . 30.0 tpp -43.13 -32.25 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 75.319999999999993 111.023 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -79.25 -39.24 33.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 74.209999999999994 110.303 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.604 ' CE1' ' CB ' ' A' ' 71' ' ' PRO . 12.2 t80 -64.79 -51.84 60.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 73.530000000000001 110.986 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.491 HD12 ' CD1' ' A' ' 85' ' ' ILE . 4.3 mm? -49.09 -44.95 42.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 71.439999999999998 109.319 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -49.12 -44.31 42.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 72.120000000000005 110.391 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -167.23 85.6 0.81 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 62.350000000000001 109.313 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.604 ' CB ' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.97 -0.67 10.23 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.423 1.749 . . . . 74.420000000000002 110.993 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -84.03 -30.18 26.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 72.430000000000007 109.273 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -84.86 -41.43 16.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 55.5 109.288 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -56.95 -37.88 72.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 73.430000000000007 111.034 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.541 ' O ' HG22 ' A' ' 78' ' ' THR . 18.7 mt -147.95 90.38 5.1 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 71.040000000000006 109.257 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 122.34 7.13 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 75.430000000000007 111.061 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.71 -12.19 35.38 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.477 1.11 . . . . 61.200000000000003 111.02 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.541 HG22 ' O ' ' A' ' 75' ' ' ILE . 2.8 t -52.3 167.48 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 0.756 . . . . 74.510000000000005 110.38 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 81' ' ' ILE . 3.1 mtmp? -88.81 -17.37 29.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 61.340000000000003 109.348 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 15.1 mmm -52.94 88.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 75.049999999999997 111.011 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.714 ' O ' HG22 ' A' ' 81' ' ' ILE . 14.1 mm -72.01 72.5 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 73.129999999999995 109.354 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -140.51 156.39 46.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.091 . . . . 64.530000000000001 110.973 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.6 m -105.95 -29.42 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 72.200000000000003 109.32 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 122.98 -178.18 16.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 44.210000000000001 111.025 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.491 ' CD1' HD12 ' A' ' 68' ' ' LEU . 20.3 mt -114.89 140.31 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.769 . . . . 73.430000000000007 109.345 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.2 mttp -79.59 -69.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 72.239999999999995 109.359 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -56.61 109.15 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 71.109999999999999 109.293 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.72 -17.71 63.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 73.430000000000007 109.303 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -82.07 -15.83 52.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 73.439999999999998 110.271 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -82.86 -13.37 56.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 64.239999999999995 110.276 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.464 ' HB2' ' CE ' ' A' ' 65' ' ' MET . 23.3 mtt180 -96.51 -30.17 13.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 42.25 110.317 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.663 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -70.85 -21.29 62.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 62.140000000000001 109.338 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -92.99 -37.81 11.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 75.329999999999998 109.421 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.35 -40.53 81.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 64.129999999999995 109.29 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 50.0 mt -78.53 -19.4 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.082 . . . . 73.239999999999995 109.266 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -74.98 -38.54 61.62 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 61.140000000000001 109.292 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.574 ' CZ ' ' CD ' ' A' ' 7' ' ' LYS . 1.6 t80 -79.81 -44.65 20.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 74.519999999999996 110.908 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.857 ' O ' HG23 ' A' ' 102' ' ' THR . 17.8 mt -48.72 -49.93 35.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 61.350000000000001 109.353 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 57.5 tttm -56.34 -43.5 79.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 74.099999999999994 109.326 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -72.89 -19.07 61.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 72.109999999999999 109.291 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.499 ' HB1' ' HB ' ' A' ' 20' ' ' VAL . . . -79.03 -38.19 37.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 75.140000000000001 109.333 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 98' ' ' LEU . 18.8 p -77.86 -45.77 23.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 73.129999999999995 110.461 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -41.04 -67.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 70.439999999999998 109.356 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 74.299999999999997 110.353 179.956 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.994 -0.842 . . . . 52.200000000000003 110.994 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -48.28 118.02 2.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 0.757 . . . . 63.420000000000002 109.279 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.0 OUTLIER -79.08 -41.36 23.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 75.340000000000003 109.327 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.9 mp0 -45.28 -52.79 9.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 73.120000000000005 110.274 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.656 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.8 mptp? -52.5 -32.44 40.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 75.510000000000005 109.322 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -88.76 -20.47 47.18 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.439 1.087 . . . . 72.040000000000006 110.97 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.572 ' O ' HD12 ' A' ' 11' ' ' ILE . 9.1 ttpp -72.65 -33.02 66.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 0.758 . . . . 74.430000000000007 109.279 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -87.36 -25.34 23.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 60.43 109.305 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 5' ' ' LYS . 72.8 mt -83.37 -30.16 8.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 74.319999999999993 109.299 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.846 ' CE1' HD21 ' A' ' 98' ' ' LEU . 37.9 t80 -77.49 -23.48 50.3 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.463 1.102 . . . . 72.239999999999995 111.033 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.572 HD12 ' O ' ' A' ' 7' ' ' LYS . 64.5 mt -86.73 -55.47 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 74.439999999999998 109.298 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 20.1 mtm -57.38 -16.36 8.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 65.420000000000002 111.02 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.579 ' HE2' HG23 ' A' ' 9' ' ' ILE . 34.1 mttm -114.33 -36.61 4.6 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.443 1.089 . . . . 64.409999999999997 109.298 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -130.11 79.78 1.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 32.539999999999999 108.302 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.552 ' HB3' HG23 ' A' ' 11' ' ' ILE . 2.4 p -120.06 141.05 50.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 63.310000000000002 110.041 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 43.32 41.41 3.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 65.25 110.289 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.15 -49.76 0.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 75.409999999999997 108.27 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.415 ' C ' HG23 ' A' ' 19' ' ' THR . 6.8 m-70 -100.77 -176.73 3.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 64.329999999999998 109.547 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.415 HG23 ' C ' ' A' ' 18' ' ' HIS . 20.2 p -153.12 138.22 17.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 63.549999999999997 110.436 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.5 m -118.98 -42.98 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.384 1.052 . . . . 62.119999999999997 109.305 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 55.240000000000002 110.375 179.941 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.293 -0.632 . . . . 63.340000000000003 109.293 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -94.91 84.12 4.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 74.519999999999996 109.597 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 29' ' ' GLY . 21.8 mmmt -53.53 -175.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 74.230000000000004 109.252 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.9 m -38.83 -31.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 61.25 110.417 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -116.09 163.09 12.41 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 73.329999999999998 111.007 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 151.48 39.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 64.109999999999999 110.971 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.627 ' C ' HD13 ' A' ' 32' ' ' LEU . 26.9 t-20 -81.07 151.86 28.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 54.229999999999997 109.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.783 ' O ' HG22 ' A' ' 102' ' ' THR . 0.2 OUTLIER -116.42 94.08 4.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 74.540000000000006 109.24 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -108.18 -53.5 2.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 64.430000000000007 109.57 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.433 ' HA3' HH21 ' A' ' 38' ' ' ARG . . . -102.15 25.14 28.82 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.108 . . . . 75.209999999999994 110.957 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.771 HD21 HD11 ' A' ' 64' ' ' LEU . 12.3 tp -40.53 -58.85 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.754 . . . . 70.129999999999995 109.279 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 99' ' ' LYS . 51.2 m-85 -79.53 81.39 5.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 61.409999999999997 111.103 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.98 -10.5 3.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.4 1.062 . . . . 44.229999999999997 111.026 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.433 HH21 ' HA3' ' A' ' 34' ' ' GLY . 36.8 ttm-85 -108.61 127.4 53.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 74.140000000000001 110.345 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.1 -171.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 65.409999999999997 109.296 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.754 HG22 ' NE1' ' A' ' 59' ' ' TRP . 2.3 p -104.51 111.4 24.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 75.439999999999998 110.332 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.45 44.84 2.45 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.528 1.143 . . . . 62.5 111.009 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.419 ' N ' ' CD ' ' A' ' 42' ' ' GLN . 3.0 mm100 -113.21 -17.56 12.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 0.78 . . . . 74.219999999999999 110.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.795 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -39.52 99.9 0.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 70.230000000000004 109.307 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.5 Cg_endo -74.94 -0.15 9.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 70.109999999999999 110.958 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.09 -14.86 15.7 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.574 1.171 . . . . 63.409999999999997 111.041 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.598 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 15.2 t80 -165.46 124.58 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 73.200000000000003 110.978 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 57.8 m -94.51 141.63 28.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 74.420000000000002 110.01 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.795 ' OH ' ' HB2' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -95.08 -174.77 3.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 74.5 110.993 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.456 HG23 ' CD ' ' A' ' 79' ' ' LYS . 2.7 p -52.86 179.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 65.430000000000007 110.449 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.59 6.13 39.56 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.433 1.083 . . . . 65.450000000000003 109.292 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.62 -49.86 4.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.395 1.059 . . . . 73.129999999999995 109.31 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.71 -47.94 61.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 72.120000000000005 109.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -51.9 -30.92 26.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 75.030000000000001 109.296 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.43 -31.76 67.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 64.310000000000002 109.243 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.3 tptp -55.82 138.82 47.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 71.129999999999995 109.263 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.407 ' C ' HG23 ' A' ' 57' ' ' ILE . . . -135.1 72.13 0.47 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 74.099999999999994 110.976 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.407 HG23 ' C ' ' A' ' 56' ' ' GLY . 2.4 pp -151.29 142.72 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.78 . . . . 74.010000000000005 109.311 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.0 mm -79.26 126.47 39.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 71.129999999999995 109.239 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.754 ' NE1' HG22 ' A' ' 40' ' ' THR . 21.2 m95 -61.68 148.21 43.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 75.239999999999995 107.96 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -157.18 -156.47 7.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 64.099999999999994 111.007 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.6 mp0 -83.78 -47.89 10.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 0.795 . . . . 64.129999999999995 110.315 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -65.11 -58.76 5.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 64.109999999999999 109.249 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.8 p -47.94 -38.8 17.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 73.219999999999999 110.364 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.771 HD11 HD21 ' A' ' 35' ' ' LEU . 29.4 mt -75.99 -32.54 59.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 75.519999999999996 109.311 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.9 tpt -53.66 -58.23 7.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 75.319999999999993 110.963 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -67.16 -51.07 58.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 74.209999999999994 110.304 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.517 ' HB2' ' CD2' ' A' ' 74' ' ' TYR . 56.3 t80 -49.9 -69.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 73.530000000000001 111.006 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -42.26 -51.23 4.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 71.439999999999998 109.279 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -47.81 -44.85 29.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 72.120000000000005 110.32 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -165.71 87.3 0.95 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 62.350000000000001 109.309 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.443 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.6 Cg_endo -74.93 -13.48 21.56 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.531 1.806 . . . . 74.420000000000002 110.993 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -64.51 -15.98 61.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 72.430000000000007 109.326 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.28 -33.68 7.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 55.5 109.262 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.517 ' CD2' ' HB2' ' A' ' 67' ' ' TYR . 2.1 t80 -66.65 -41.46 88.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 73.430000000000007 111.022 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.0 mt -134.92 86.19 33.17 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 71.040000000000006 109.342 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 109.03 2.85 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.559 1.821 . . . . 75.430000000000007 111.019 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 127.3 -17.14 6.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.486 1.116 . . . . 61.200000000000003 110.972 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.0 t -47.04 168.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 0.736 . . . . 74.510000000000005 110.386 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.456 ' CD ' HG23 ' A' ' 49' ' ' THR . 7.9 pttt -120.93 38.94 3.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 61.340000000000003 109.354 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.8 ttt -103.33 119.26 38.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 75.049999999999997 110.979 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.2 mm -81.17 113.47 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 73.129999999999995 109.235 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.467 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 7.3 t80 -170.16 165.5 9.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 64.530000000000001 111.002 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 32.8 m -110.4 -44.21 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 72.200000000000003 109.311 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.467 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 118.1 161.09 11.81 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.46 1.1 . . . . 44.210000000000001 110.955 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.451 HG22 ' N ' ' A' ' 86' ' ' LYS . 18.5 mt -102.61 163.79 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 73.430000000000007 109.326 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.451 ' N ' HG22 ' A' ' 85' ' ' ILE . 1.2 ttmp? -110.28 -73.81 0.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 72.239999999999995 109.331 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -46.9 116.01 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 71.109999999999999 109.319 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? -60.91 -50.0 75.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 73.430000000000007 109.336 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.454 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 24.5 mt-10 -49.05 -41.75 36.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 73.439999999999998 110.319 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.5 ' HG2' HD13 ' A' ' 9' ' ' ILE . 11.0 tt0 -56.1 -39.94 72.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 64.239999999999995 110.288 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 84.6 mtm-85 -66.59 -23.08 66.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 42.25 110.375 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 89' ' ' GLU . . . -74.01 -51.25 16.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 62.140000000000001 109.37 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 94' ' ' LEU . 1.3 p30 -57.85 -29.76 65.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 75.329999999999998 109.294 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.477 HD12 HG22 ' A' ' 9' ' ' ILE . 1.7 tt -80.8 -41.1 23.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.587 1.18 . . . . 64.129999999999995 109.377 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 61.1 mt -74.22 -16.42 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 73.239999999999995 109.329 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 92' ' ' ALA . . . -79.67 -30.57 41.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 61.140000000000001 109.285 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.568 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 3.2 t80 -88.59 -54.01 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 74.519999999999996 110.983 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.951 ' O ' HG23 ' A' ' 102' ' ' THR . 14.1 mt -48.78 -36.02 15.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 61.350000000000001 109.338 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 56.3 tttp -69.98 -40.61 75.26 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.43 1.081 . . . . 74.099999999999994 109.302 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -77.19 -15.03 59.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 72.109999999999999 109.32 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -84.56 -39.94 18.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 75.140000000000001 109.293 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.951 HG23 ' O ' ' A' ' 98' ' ' LEU . 51.9 p -79.29 -35.47 41.23 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 73.129999999999995 110.424 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -69.58 -60.84 2.06 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.089 . . . . 70.439999999999998 109.351 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 74.299999999999997 110.316 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.974 -0.85 . . . . 52.200000000000003 110.974 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -75.81 142.62 42.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 0.807 . . . . 63.420000000000002 109.347 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.697 HG11 ' CE ' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -79.07 -36.97 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 75.340000000000003 109.288 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 7' ' ' LYS . 36.2 mt-10 -47.57 -58.1 4.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 73.120000000000005 110.313 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.847 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.4 mptm? -49.11 -25.27 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 75.510000000000005 109.299 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 10' ' ' PHE . . . -94.33 -24.6 18.51 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.12 . . . . 72.040000000000006 110.973 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.561 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 25.5 tttt -74.97 -30.79 61.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 0.743 . . . . 74.430000000000007 109.345 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -83.96 -30.67 26.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 60.43 109.354 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.847 HD12 ' O ' ' A' ' 5' ' ' LYS . 60.4 mt -84.76 -23.24 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 74.319999999999993 109.307 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.49 ' CB ' ' O ' ' A' ' 6' ' ' GLY . 21.1 t80 -75.92 -20.6 57.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 72.239999999999995 111.013 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.483 HG23 ' HB2' ' A' ' 15' ' ' SER . 63.0 mt -82.97 -62.89 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 74.439999999999998 109.266 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -20.25 13.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.152 . . . . 65.420000000000002 111.032 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 9' ' ' ILE . 5.3 mmpt? -103.95 -35.07 8.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 64.409999999999997 109.286 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -137.12 81.05 1.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 32.539999999999999 108.329 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.483 ' HB2' HG23 ' A' ' 11' ' ' ILE . 2.4 t -119.92 140.56 50.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 63.310000000000002 109.981 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 54.76 29.3 11.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 65.25 110.312 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.0 m -133.18 -57.73 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 75.409999999999997 108.329 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.495 ' HD1' HD21 ' A' ' 32' ' ' LEU . 74.0 m-70 -103.11 161.37 13.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 64.329999999999998 109.616 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.701 ' O ' HG22 ' A' ' 20' ' ' VAL . 72.7 p -119.35 -39.59 2.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 63.549999999999997 110.343 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.989 HG12 HD23 ' A' ' 32' ' ' LEU . 9.3 m 49.26 27.33 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.075 . . . . 62.119999999999997 109.26 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.422 ' CG ' ' HB ' ' A' ' 19' ' ' THR . 2.8 pt-20 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 55.240000000000002 110.272 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.313 -0.625 . . . . 63.340000000000003 109.313 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -89.86 75.6 7.25 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.559 1.162 . . . . 74.519999999999996 109.564 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.434 ' C ' ' N ' ' A' ' 29' ' ' GLY . 12.5 mtmt -53.27 -175.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.599 1.187 . . . . 74.230000000000004 109.231 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 m -38.79 -29.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 61.25 110.434 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.434 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . -115.53 159.42 13.81 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 73.329999999999998 110.985 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 149.47 36.99 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.525 1.803 . . . . 64.109999999999999 111.054 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.766 ' O ' HD13 ' A' ' 32' ' ' LEU . 3.7 t-20 -76.13 164.18 26.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 54.229999999999997 109.261 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.989 HD23 HG12 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -128.93 100.62 5.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 74.540000000000006 109.302 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.494 ' O ' ' CA ' ' A' ' 102' ' ' THR . 8.5 t-160 -111.55 -71.46 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 64.430000000000007 109.615 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.445 ' H ' HH21 ' A' ' 38' ' ' ARG . . . -102.09 28.06 17.6 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.499 1.125 . . . . 75.209999999999994 110.964 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 34' ' ' GLY . 3.9 tp -40.51 -46.89 2.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 70.129999999999995 109.333 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 99' ' ' LYS . 9.4 m-85 -78.03 82.35 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 61.409999999999997 111.009 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.18 -12.62 3.05 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.484 1.115 . . . . 44.229999999999997 111.001 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.445 HH21 ' H ' ' A' ' 34' ' ' GLY . 8.6 ptp180 -97.11 152.16 19.06 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.516 0.774 . . . . 74.140000000000001 110.279 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -80.99 170.19 16.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 65.409999999999997 109.34 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.2 p -76.18 109.76 10.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 75.439999999999998 110.418 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.444 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 88.64 50.17 3.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 62.5 110.998 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 43' ' ' ALA . 46.6 mm-40 -114.15 -14.56 12.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 0.742 . . . . 74.219999999999999 110.319 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.69 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -39.59 99.97 0.21 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 70.230000000000004 109.265 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.4 Cg_endo -75.0 73.24 4.39 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 70.109999999999999 111.015 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.48 -49.74 0.2 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.532 1.145 . . . . 63.409999999999997 110.935 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -121.94 81.97 1.89 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.476 0.75 . . . . 73.200000000000003 111.058 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.4 p -55.85 130.17 42.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 74.420000000000002 110.042 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.69 ' OH ' ' HB2' ' A' ' 43' ' ' ALA . 6.3 m-30 -80.32 -175.02 4.89 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.481 1.113 . . . . 74.5 110.955 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 36.7 p -72.38 -179.46 2.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 65.430000000000007 110.367 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.19 12.58 13.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 65.450000000000003 109.326 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.534 ' HB1' HG22 ' A' ' 75' ' ' ILE . . . -96.61 -38.9 9.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 73.129999999999995 109.324 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.499 ' OD1' ' CD1' ' A' ' 75' ' ' ILE . 2.2 t30 -100.75 -19.53 15.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 72.120000000000005 109.332 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.0 tttp -76.41 -29.26 57.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 75.030000000000001 109.273 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 14.3 p30 -71.98 -27.01 62.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 64.310000000000002 109.344 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.464 ' HE3' ' CE1' ' A' ' 74' ' ' TYR . 13.1 mmtt -55.56 156.68 4.49 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 71.129999999999995 109.32 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -138.19 16.75 3.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 74.099999999999994 110.941 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.516 HD12 ' N ' ' A' ' 58' ' ' ILE . 2.2 pp -90.55 178.98 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.433 0.725 . . . . 74.010000000000005 109.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.516 ' N ' HD12 ' A' ' 57' ' ' ILE . 30.7 mm -116.12 134.26 60.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 71.129999999999995 109.357 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 28.4 m95 -72.75 89.89 1.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 75.239999999999995 107.981 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.488 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -116.37 -147.88 8.92 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 64.099999999999994 111.075 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -89.56 -59.68 2.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 64.129999999999995 110.288 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -50.57 -44.23 56.64 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.525 1.14 . . . . 64.109999999999999 109.269 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.464 HG21 ' O ' ' A' ' 58' ' ' ILE . 27.7 p -65.0 -58.46 6.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 73.219999999999999 110.358 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.488 HD12 ' O ' ' A' ' 60' ' ' GLY . 17.7 mt -42.87 -47.86 5.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 75.519999999999996 109.32 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.424 ' CE ' ' HB3' ' A' ' 91' ' ' ARG . 2.6 tpt -46.36 -68.27 0.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 75.319999999999993 110.973 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 69' ' ' GLU . 2.0 tp10 -43.42 -57.85 2.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.085 . . . . 74.209999999999994 110.27 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.589 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 2.5 t80 -48.39 -42.84 33.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 73.530000000000001 111.025 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.708 HD12 HD11 ' A' ' 95' ' ' ILE . 64.3 mt -65.32 -28.21 69.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 71.439999999999998 109.31 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 66' ' ' GLU . 23.8 tt0 -78.52 -35.93 45.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 72.120000000000005 110.248 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -164.52 82.5 1.27 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 62.350000000000001 109.333 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.589 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.1 Cg_endo -74.97 -10.64 21.35 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.456 1.766 . . . . 74.420000000000002 110.981 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.423 ' HB3' ' HZ3' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -77.08 -47.69 19.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 72.430000000000007 109.299 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.4 ttmt -65.63 -44.46 86.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 55.5 109.25 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.486 ' OH ' ' CD1' ' A' ' 57' ' ' ILE . 1.6 t80 -48.17 -51.37 25.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 73.430000000000007 110.947 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.534 HG22 ' HB1' ' A' ' 51' ' ' ALA . 5.8 mt -135.65 90.33 20.01 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.451 1.094 . . . . 71.040000000000006 109.369 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 98.69 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.518 1.799 . . . . 75.430000000000007 111.036 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 133.82 -16.54 4.49 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.543 1.152 . . . . 61.200000000000003 110.945 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 75' ' ' ILE . 3.2 t -44.08 164.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 0.802 . . . . 74.510000000000005 110.445 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? -93.99 17.26 12.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 61.340000000000003 109.255 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.436 ' CE ' ' OH ' ' A' ' 67' ' ' TYR . 11.2 tpp -76.06 144.81 40.55 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.585 1.178 . . . . 75.049999999999997 110.91 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.434 ' O ' HG22 ' A' ' 81' ' ' ILE . 29.3 mt -118.33 74.5 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 73.129999999999995 109.317 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -155.35 173.95 15.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 64.530000000000001 110.971 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.2 m -118.64 -45.72 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 72.200000000000003 109.231 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 138.67 162.65 9.25 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 44.210000000000001 111.002 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.8 mt -103.81 152.11 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.411 0.712 . . . . 73.430000000000007 109.284 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.6 tptp -95.07 -75.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 72.239999999999995 109.316 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -40.56 141.55 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 71.109999999999999 109.352 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -78.04 -42.64 31.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 73.430000000000007 109.338 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -55.95 -60.79 2.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 73.439999999999998 110.308 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.604 ' HG3' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -38.65 -38.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 64.239999999999995 110.25 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.424 ' HB3' ' CE ' ' A' ' 65' ' ' MET . 52.6 mtm180 -74.05 -54.9 6.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 42.25 110.312 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -48.8 -58.76 4.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 62.140000000000001 109.276 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 96' ' ' ALA . 71.9 m-20 -50.59 -56.77 10.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 75.329999999999998 109.293 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.4 tp -48.85 -34.79 13.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 64.129999999999995 109.284 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.708 HD11 HD12 ' A' ' 68' ' ' LEU . 43.2 mt -75.67 -34.88 29.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 73.239999999999995 109.314 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -57.34 -24.6 56.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 61.140000000000001 109.395 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.561 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 1.2 t80 -97.96 -37.97 9.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 74.519999999999996 111.028 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.413 HD21 ' CD1' ' A' ' 10' ' ' PHE . 15.3 mt -72.22 -15.23 61.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 61.350000000000001 109.352 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.532 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 66.2 tttt -96.04 -22.32 17.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.593 1.183 . . . . 74.099999999999994 109.222 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.697 ' CE ' HG11 ' A' ' 3' ' ' VAL . 18.5 ttpp -98.02 -18.81 18.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 72.109999999999999 109.268 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.457 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -79.71 -29.14 40.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 75.140000000000001 109.315 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.494 ' CA ' ' O ' ' A' ' 33' ' ' HIS . 46.2 p -104.04 33.1 3.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.404 1.065 . . . . 73.129999999999995 110.45 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -124.07 -50.67 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 70.439999999999998 109.319 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 74.299999999999997 110.342 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.012 -0.835 . . . . 52.200000000000003 111.012 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -50.76 169.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 63.420000000000002 109.326 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.86 HG12 ' HA ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -117.28 -52.12 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 75.340000000000003 109.262 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -40.56 -44.97 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 73.120000000000005 110.289 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.675 ' O ' HD12 ' A' ' 9' ' ' ILE . 2.7 mmmp? -55.77 -47.05 77.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 75.510000000000005 109.297 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.479 ' O ' ' CB ' ' A' ' 10' ' ' PHE . . . -79.02 -12.65 83.88 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.524 1.14 . . . . 72.040000000000006 111.001 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.574 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 16.5 tptm -72.91 -72.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 74.430000000000007 109.284 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -52.36 -36.05 52.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 60.43 109.304 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.675 HD12 ' O ' ' A' ' 5' ' ' LYS . 96.7 mt -66.91 -43.61 89.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 74.319999999999993 109.312 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 1.157 ' CE1' HD21 ' A' ' 98' ' ' LEU . 29.9 t80 -66.95 -27.51 67.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 72.239999999999995 110.997 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.536 HG23 ' HB2' ' A' ' 15' ' ' SER . 48.2 mt -82.83 -70.24 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 74.439999999999998 109.328 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.4 mmt -42.19 -27.08 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 65.420000000000002 110.994 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -101.69 -37.38 8.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 64.409999999999997 109.294 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -133.03 82.95 2.02 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.156 . . . . 32.539999999999999 108.284 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.536 ' HB2' HG23 ' A' ' 11' ' ' ILE . 42.8 t -123.32 150.26 43.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 63.310000000000002 110.035 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 41.47 36.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 65.25 110.325 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.87 -61.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 75.409999999999997 108.3 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -88.21 -178.34 5.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 64.329999999999998 109.618 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 31' ' ' ASN . 3.0 p -146.53 143.39 28.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.153 . . . . 63.549999999999997 110.331 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.0 m -124.61 -44.48 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 62.119999999999997 109.373 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 55.240000000000002 110.29 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.1 pttm . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.276 -0.638 . . . . 63.340000000000003 109.276 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -94.11 79.22 4.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 74.519999999999996 109.55 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.41 ' C ' ' N ' ' A' ' 29' ' ' GLY . 16.5 mtpt -53.93 -174.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 74.230000000000004 109.285 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.7 m -39.33 -30.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 61.25 110.427 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.41 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . -120.28 157.35 15.74 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.517 1.135 . . . . 73.329999999999998 110.965 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 151.78 39.86 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.497 1.788 . . . . 64.109999999999999 111.002 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' A' ' 19' ' ' THR . 6.2 t-20 -71.83 136.64 47.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 54.229999999999997 109.281 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.468 ' CB ' HG21 ' A' ' 102' ' ' THR . 1.0 OUTLIER -77.7 -13.64 59.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 74.540000000000006 109.301 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 32' ' ' LEU . 6.8 t-80 -39.98 -37.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 64.430000000000007 109.649 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -100.83 47.92 1.19 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 75.209999999999994 110.997 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.683 HD21 HD11 ' A' ' 64' ' ' LEU . 14.2 tp -95.33 -75.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 0.736 . . . . 70.129999999999995 109.295 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.596 ' CE1' HD23 ' A' ' 35' ' ' LEU . 68.8 m-85 -68.38 118.96 12.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 61.409999999999997 111.008 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.13 16.8 36.79 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.482 1.113 . . . . 44.229999999999997 111.051 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.1 ttm-85 -139.54 159.0 43.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 0.749 . . . . 74.140000000000001 110.299 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -96.73 -174.23 2.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 65.409999999999997 109.26 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.0 p -88.29 132.32 34.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 75.439999999999998 110.345 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.95 48.26 12.01 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.388 1.055 . . . . 62.5 111.014 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 43' ' ' ALA . 79.6 mm-40 -110.34 -35.61 6.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 0.756 . . . . 74.219999999999999 110.304 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.545 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -39.57 99.9 0.2 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 70.230000000000004 109.203 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.4 Cg_endo -74.98 -7.0 18.78 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.495 1.787 . . . . 70.109999999999999 111.011 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -94.65 -4.97 61.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 63.409999999999997 110.947 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -168.24 111.34 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 73.200000000000003 110.987 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.8 p -79.63 121.52 25.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 74.420000000000002 109.986 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.545 ' OH ' ' HB2' ' A' ' 43' ' ' ALA . 5.5 m-30 -74.18 -175.02 2.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 74.5 110.976 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.641 HG23 ' HE2' ' A' ' 79' ' ' LYS . 7.0 p -70.56 175.57 4.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 65.430000000000007 110.383 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.16 -16.09 57.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 65.450000000000003 109.365 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.542 ' HB1' ' O ' ' A' ' 76' ' ' PRO . . . -76.03 -27.74 57.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 73.129999999999995 109.315 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 55' ' ' LYS . 2.1 t30 -98.22 -47.73 5.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 72.120000000000005 109.322 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -44.1 -30.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 75.030000000000001 109.341 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -71.39 -49.87 37.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 64.310000000000002 109.316 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.3 OUTLIER -47.56 138.54 7.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.401 1.063 . . . . 71.129999999999995 109.267 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -141.5 73.68 0.37 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.53 1.144 . . . . 74.099999999999994 111.022 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.403 HD12 ' O ' ' A' ' 58' ' ' ILE . 2.3 pp -142.02 159.77 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.753 . . . . 74.010000000000005 109.248 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.403 ' O ' HD12 ' A' ' 57' ' ' ILE . 3.6 mm -85.79 152.96 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 71.129999999999995 109.28 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.527 ' CD1' HD12 ' A' ' 35' ' ' LEU . 38.6 m95 -96.67 96.68 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.972 -1.121 . . . . 75.239999999999995 107.972 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.557 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -108.35 -172.34 21.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 64.099999999999994 111.044 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.486 ' O ' ' CG ' ' A' ' 65' ' ' MET . 29.7 mt-10 -82.42 -15.3 53.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.777 . . . . 64.129999999999995 110.336 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -89.39 -42.52 11.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 64.109999999999999 109.35 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.0 p -73.76 -30.29 62.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 73.219999999999999 110.402 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.683 HD11 HD21 ' A' ' 35' ' ' LEU . 37.8 mt -79.83 -17.97 51.97 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.587 1.179 . . . . 75.519999999999996 109.303 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.486 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 2.9 mmt -77.11 -27.43 54.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 75.319999999999993 111.029 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -96.15 -34.71 11.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 74.209999999999994 110.293 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 4.0 t80 -66.14 -35.51 80.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 73.530000000000001 111.036 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.049 HD12 HD11 ' A' ' 95' ' ' ILE . 7.8 mt -67.5 -29.89 69.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 71.439999999999998 109.221 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -66.69 -40.44 88.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 72.120000000000005 110.318 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -163.95 79.62 1.5 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 62.350000000000001 109.348 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.01 -11.04 21.45 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.502 1.791 . . . . 74.420000000000002 110.997 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.463 ' HA ' ' CE ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER -67.89 -15.87 63.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 72.430000000000007 109.341 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.95 -53.67 2.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 55.5 109.29 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.409 ' CD2' ' HB2' ' A' ' 67' ' ' TYR . 1.8 t80 -42.08 -32.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 73.430000000000007 111.035 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.421 HG22 ' HB ' ' A' ' 78' ' ' THR . 5.3 mm -134.98 89.93 23.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 71.040000000000006 109.284 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.542 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 18.2 Cg_endo -75.01 104.55 1.92 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.443 1.76 . . . . 75.430000000000007 110.957 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.02 43.46 1.64 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.551 1.157 . . . . 61.200000000000003 111.023 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.502 HG23 ' HB2' ' A' ' 80' ' ' MET . 6.3 t -102.67 157.25 17.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 74.510000000000005 110.388 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.641 ' HE2' HG23 ' A' ' 49' ' ' THR . 27.8 mttm -77.67 -16.5 58.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.417 1.073 . . . . 61.340000000000003 109.312 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.502 ' HB2' HG23 ' A' ' 78' ' ' THR . 45.0 mmm -42.87 148.33 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 75.049999999999997 111.049 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.417 HD13 ' O ' ' A' ' 80' ' ' MET . 5.6 mm -132.59 52.89 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 73.129999999999995 109.325 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -109.99 177.84 4.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.12 . . . . 64.530000000000001 110.985 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.2 m -123.43 -45.17 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 72.200000000000003 109.259 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 131.57 162.69 10.6 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.498 1.124 . . . . 44.210000000000001 110.994 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 82.4 mt -116.31 144.07 24.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.554 0.796 . . . . 73.430000000000007 109.316 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -92.79 -38.56 11.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 72.239999999999995 109.358 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -73.75 126.64 30.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 71.109999999999999 109.338 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -75.54 -37.26 60.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 73.430000000000007 109.238 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -60.06 -52.66 64.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 73.439999999999998 110.319 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -48.78 -37.37 18.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 64.239999999999995 110.293 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.462 ' HB3' ' CE ' ' A' ' 65' ' ' MET . 58.3 mtm180 -71.53 -39.58 70.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 42.25 110.328 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.14 -63.23 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.577 1.173 . . . . 62.140000000000001 109.345 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.545 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 0.4 OUTLIER -51.68 -40.27 59.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 75.329999999999998 109.334 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.646 ' CD1' HD12 ' A' ' 98' ' ' LEU . 2.2 tm? -55.24 -59.64 4.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 64.129999999999995 109.321 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 1.049 HD11 HD12 ' A' ' 68' ' ' LEU . 16.6 mt -67.33 -15.84 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 73.239999999999995 109.302 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -72.42 -36.98 68.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 61.140000000000001 109.278 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.86 ' HA ' HG12 ' A' ' 3' ' ' VAL . 2.1 t80 -89.13 -48.13 7.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 74.519999999999996 111.006 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.157 HD21 ' CE1' ' A' ' 10' ' ' PHE . 15.1 mt -54.0 -23.75 14.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 61.350000000000001 109.281 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.545 ' HG3' ' CE1' ' A' ' 36' ' ' PHE . 56.2 tttm -82.23 -52.55 6.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 74.099999999999994 109.297 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -63.44 -18.23 63.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.425 1.078 . . . . 72.109999999999999 109.255 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -85.94 -29.59 23.46 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.537 1.148 . . . . 75.140000000000001 109.234 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 98' ' ' LEU . 70.5 p -109.88 19.51 19.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 73.129999999999995 110.354 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -108.69 -31.72 7.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 70.439999999999998 109.353 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 74.299999999999997 110.242 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.418 ' O ' ' HB1' ' A' ' 96' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.028 -0.829 . . . . 52.200000000000003 111.028 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.62 162.96 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 0.749 . . . . 63.420000000000002 109.27 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.792 HG23 ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -111.28 -41.42 4.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 75.340000000000003 109.309 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -49.87 -52.98 28.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 73.120000000000005 110.319 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.458 ' O ' HD12 ' A' ' 9' ' ' ILE . 7.1 mmmm -53.62 -23.65 11.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 75.510000000000005 109.318 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.17 -21.71 19.48 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.475 1.109 . . . . 72.040000000000006 110.917 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.559 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 18.1 ttpp -74.68 -22.1 59.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 74.430000000000007 109.322 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.531 ' HZ2' ' HB3' ' A' ' 8' ' ' LYS . 1.3 mmmp? -86.98 -43.59 12.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 60.43 109.391 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.568 HG23 ' NZ ' ' A' ' 13' ' ' LYS . 46.3 mt -73.49 -10.32 13.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 74.319999999999993 109.342 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.429 ' O ' ' CA ' ' A' ' 14' ' ' CYS . 11.5 t80 -87.49 -26.46 23.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 72.239999999999995 111.07 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.499 ' O ' ' CB ' ' A' ' 15' ' ' SER . 82.1 mt -84.05 -70.14 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 74.439999999999998 109.333 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.5 mtp -37.94 -30.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 65.420000000000002 110.989 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.568 ' NZ ' HG23 ' A' ' 9' ' ' ILE . 2.6 mttp -102.64 -62.22 1.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 64.409999999999997 109.271 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.429 ' CA ' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -98.22 65.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.589 1.181 . . . . 32.539999999999999 108.32 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.4 p -102.69 132.77 48.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 63.310000000000002 110.063 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 39.95 36.42 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 65.25 110.201 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.82 -47.03 1.39 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 75.409999999999997 108.292 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.584 ' ND1' HD11 ' A' ' 32' ' ' LEU . 6.6 m-70 -106.79 175.12 5.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 64.329999999999998 109.571 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.605 HG21 ' O ' ' A' ' 25' ' ' LYS . 9.6 p -146.98 144.57 29.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 63.549999999999997 110.417 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.8 m -126.37 -44.93 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 62.119999999999997 109.3 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 55.240000000000002 110.309 179.954 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.605 ' O ' HG21 ' A' ' 19' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.291 -0.633 . . . . 63.340000000000003 109.291 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -81.67 133.8 35.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 74.519999999999996 109.625 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 mtmm -131.55 -103.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 74.230000000000004 109.284 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.7 m -72.3 -40.63 67.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.565 1.166 . . . . 61.25 110.449 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -127.83 165.07 21.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.587 1.179 . . . . 73.329999999999998 110.997 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.401 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 18.1 Cg_endo -74.96 149.67 37.23 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.504 1.791 . . . . 64.109999999999999 111.017 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -72.49 147.45 46.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 54.229999999999997 109.278 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.777 HD23 HD13 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -116.29 93.88 4.41 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.556 1.16 . . . . 74.540000000000006 109.354 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -106.98 -46.11 4.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 64.430000000000007 109.573 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -102.06 25.57 27.35 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.41 1.069 . . . . 75.209999999999994 111.054 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.777 HD13 HD23 ' A' ' 32' ' ' LEU . 19.5 tp -40.45 -62.28 0.79 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.473 0.749 . . . . 70.129999999999995 109.345 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.649 ' CZ ' ' CB ' ' A' ' 99' ' ' LYS . 13.2 m-85 -79.5 94.38 5.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.069 . . . . 61.409999999999997 110.946 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.17 30.99 2.14 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.458 1.099 . . . . 44.229999999999997 110.969 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.445 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 33.9 ttp180 -144.67 162.65 36.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 0.791 . . . . 74.140000000000001 110.292 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.455 ' HD3' ' CD1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -94.83 -178.28 4.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 65.409999999999997 109.263 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.697 HG22 ' NE1' ' A' ' 59' ' ' TRP . 2.4 p -90.34 141.68 28.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 75.439999999999998 110.388 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.557 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 64.4 66.71 2.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.485 1.116 . . . . 62.5 110.952 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 43' ' ' ALA . 84.6 mm-40 -115.95 -36.12 4.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 74.219999999999999 110.294 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.453 ' CB ' ' OH ' ' A' ' 48' ' ' TYR . . . -39.51 99.91 0.2 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 70.230000000000004 109.307 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.6 Cg_endo -74.96 -0.41 9.92 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.463 1.77 . . . . 70.109999999999999 111.029 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.68 -6.11 35.57 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 63.409999999999997 110.992 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.494 ' O ' ' CE1' ' A' ' 48' ' ' TYR . 18.8 t80 -159.35 112.81 2.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 0.798 . . . . 73.200000000000003 110.987 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.8 p -90.28 139.69 30.41 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.466 1.104 . . . . 74.420000000000002 109.99 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.62 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -99.71 -175.14 2.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 74.5 111.038 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.7 p -55.3 176.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 65.430000000000007 110.394 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.68 12.58 14.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 65.450000000000003 109.336 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.67 -45.35 6.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 73.129999999999995 109.287 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.41 ' O ' ' N ' ' A' ' 55' ' ' LYS . 7.4 t30 -83.79 -47.19 11.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 72.120000000000005 109.288 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -46.44 -35.54 5.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 75.030000000000001 109.296 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -75.62 -39.55 57.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 64.310000000000002 109.331 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 52' ' ' ASN . 9.9 tptt -45.88 140.22 3.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 71.129999999999995 109.303 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.38 77.01 0.33 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.574 1.171 . . . . 74.099999999999994 111.016 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.594 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.4 pp -143.32 151.0 17.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 0.76 . . . . 74.010000000000005 109.321 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.455 ' CD1' ' HD3' ' A' ' 39' ' ' LYS . 2.3 mm -84.82 131.66 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.152 . . . . 71.129999999999995 109.224 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.697 ' NE1' HG22 ' A' ' 40' ' ' THR . 18.9 m95 -77.08 153.9 33.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.546 1.154 . . . . 75.239999999999995 108.018 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.621 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -173.67 -148.75 6.58 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.44 1.088 . . . . 64.099999999999994 111.017 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 65' ' ' MET . 30.0 mt-10 -87.51 -58.18 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 0.783 . . . . 64.129999999999995 110.323 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -58.88 -45.4 90.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 64.109999999999999 109.275 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.408 ' OG1' ' N ' ' A' ' 60' ' ' GLY . 13.7 p -60.51 -27.87 67.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 73.219999999999999 110.419 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.621 HD12 ' O ' ' A' ' 60' ' ' GLY . 77.6 mt -92.85 -19.23 21.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 75.519999999999996 109.325 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.676 ' HE3' HD12 ' A' ' 95' ' ' ILE . 2.4 tpt -68.43 -37.89 80.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 75.319999999999993 110.968 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -84.49 -38.54 19.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 74.209999999999994 110.273 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.609 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 8.0 t80 -60.06 -47.08 87.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 73.530000000000001 110.995 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.418 HD12 HD11 ' A' ' 95' ' ' ILE . 13.0 mt -56.52 -41.52 76.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 71.439999999999998 109.294 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -59.16 -43.1 92.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 72.120000000000005 110.315 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -163.63 88.64 1.2 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 62.350000000000001 109.305 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.609 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.7 Cg_endo -75.01 -7.25 18.98 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.506 1.793 . . . . 74.420000000000002 111.033 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -74.68 -47.85 29.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.086 . . . . 72.430000000000007 109.339 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -43.16 98.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 55.5 109.302 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -56.67 -52.29 65.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 73.430000000000007 111.056 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.432 ' O ' HG22 ' A' ' 78' ' ' THR . 5.7 mt -133.6 88.7 33.15 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 71.040000000000006 109.306 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 110.33 3.1 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.5 1.79 . . . . 75.430000000000007 111.004 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.55 -0.22 13.96 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.501 1.125 . . . . 61.200000000000003 111.025 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 75' ' ' ILE . 1.7 t -61.08 166.41 3.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.788 . . . . 74.510000000000005 110.474 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.7 mtmm -95.69 15.75 19.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 61.340000000000003 109.282 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.5 tpp -76.53 94.68 3.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 75.049999999999997 111.051 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.482 ' N ' HD12 ' A' ' 81' ' ' ILE . 1.6 mp -58.8 -17.71 11.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 73.129999999999995 109.314 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -53.54 169.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 64.530000000000001 110.971 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 84' ' ' GLY . 35.6 m -120.18 -48.5 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 72.200000000000003 109.345 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.436 ' N ' HG23 ' A' ' 83' ' ' VAL . . . 141.29 -179.07 19.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.527 1.142 . . . . 44.210000000000001 110.994 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 8.0 mt -119.68 157.8 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 73.430000000000007 109.328 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.93 -34.64 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 72.239999999999995 109.27 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.418 ' CB ' ' OE1' ' A' ' 90' ' ' GLU . 15.4 mmmt -84.12 111.44 19.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 71.109999999999999 109.319 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -17.24 64.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 73.430000000000007 109.297 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -79.52 -13.57 59.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 73.439999999999998 110.278 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.418 ' OE1' ' CB ' ' A' ' 87' ' ' LYS . 0.6 OUTLIER -99.95 -11.29 20.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 64.239999999999995 110.264 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.8 mtm-85 -90.66 -32.48 16.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 42.25 110.29 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.64 -16.74 59.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 62.140000000000001 109.283 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -93.54 -48.16 6.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 75.329999999999998 109.292 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 48.7 tp -55.78 -34.12 64.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 64.129999999999995 109.292 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.676 HD12 ' HE3' ' A' ' 65' ' ' MET . 80.7 mt -79.93 -40.13 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 73.239999999999995 109.281 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 1' ' ' GLY . . . -55.57 -20.65 14.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 61.140000000000001 109.289 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.792 ' CD1' HG23 ' A' ' 3' ' ' VAL . 0.6 OUTLIER -92.87 -58.46 2.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 74.519999999999996 111.013 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.836 ' O ' HG23 ' A' ' 102' ' ' THR . 11.5 mt -51.09 -30.74 16.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 61.350000000000001 109.289 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.649 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 11.9 pttp -69.13 -34.21 74.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.593 1.183 . . . . 74.099999999999994 109.368 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -89.08 -16.47 31.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 72.109999999999999 109.355 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.513 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -81.39 -40.12 23.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 75.140000000000001 109.347 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.836 HG23 ' O ' ' A' ' 98' ' ' LEU . 68.2 p -81.63 -29.92 33.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 73.129999999999995 110.374 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -53.22 -55.33 25.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 70.439999999999998 109.273 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 74.299999999999997 110.333 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.021 -0.832 . . . . 52.200000000000003 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -64.03 167.77 6.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 63.420000000000002 109.29 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.822 HG12 ' HA ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -113.08 -51.34 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 75.340000000000003 109.312 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -41.42 -48.27 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 73.120000000000005 110.283 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.578 ' O ' HD12 ' A' ' 9' ' ' ILE . 6.8 mmtm -52.5 -43.72 65.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 75.510000000000005 109.331 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -81.77 -17.15 71.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.541 1.151 . . . . 72.040000000000006 110.959 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.562 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -80.9 -27.2 36.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 0.753 . . . . 74.430000000000007 109.266 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -85.76 -19.76 30.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 60.43 109.285 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.578 HD12 ' O ' ' A' ' 5' ' ' LYS . 21.8 mt -95.34 -16.25 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 74.319999999999993 109.318 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.638 ' CE1' HG13 ' A' ' 20' ' ' VAL . 12.5 t80 -81.75 -28.2 33.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 72.239999999999995 111.013 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.497 ' O ' ' CB ' ' A' ' 15' ' ' SER . 74.6 mt -82.13 -75.07 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 74.439999999999998 109.289 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.94 -30.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 65.420000000000002 110.974 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.458 ' HD2' HG23 ' A' ' 9' ' ' ILE . 9.4 mtpt -99.34 -66.96 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 64.409999999999997 109.282 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' CA ' ' O ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -92.18 62.28 4.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 32.539999999999999 108.213 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 0.5 OUTLIER -98.32 149.08 23.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.113 . . . . 63.310000000000002 110.029 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 38.99 34.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 65.25 110.332 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.47 ' SG ' HG21 ' A' ' 28' ' ' THR . 2.4 m -137.84 -51.84 0.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 75.409999999999997 108.252 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -116.24 147.46 41.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.412 1.07 . . . . 64.329999999999998 109.544 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.698 ' O ' HG22 ' A' ' 20' ' ' VAL . 4.5 p -112.26 -29.66 7.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 63.549999999999997 110.418 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.698 HG22 ' O ' ' A' ' 19' ' ' THR . 9.2 m 49.22 26.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 62.119999999999997 109.291 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 55.240000000000002 110.306 179.96 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.415 ' HB3' ' NZ ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.277 -0.638 . . . . 63.340000000000003 109.277 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.4 ' CD2' ' N ' ' A' ' 26' ' ' HIS . 3.6 m-70 -90.72 128.61 36.72 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.478 1.111 . . . . 74.519999999999996 109.621 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -125.38 -98.96 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.163 . . . . 74.230000000000004 109.296 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.47 HG21 ' SG ' ' A' ' 17' ' ' CYS . 2.5 m -72.55 -28.59 62.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 61.25 110.405 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -143.35 -173.3 14.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.13 . . . . 73.329999999999998 111.038 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 151.16 39.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.52 1.8 . . . . 64.109999999999999 111.005 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -68.51 129.4 39.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 54.229999999999997 109.285 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.468 ' O ' HG22 ' A' ' 102' ' ' THR . 7.1 mp -86.84 78.4 9.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 74.540000000000006 109.326 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -114.32 -54.36 2.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 64.430000000000007 109.641 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.412 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -102.04 22.56 37.64 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.498 1.124 . . . . 75.209999999999994 111.067 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.404 ' HB3' HG21 ' A' ' 102' ' ' THR . 6.8 tp -42.11 -74.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 70.129999999999995 109.292 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -62.96 111.05 1.99 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 61.409999999999997 110.978 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.96 38.39 4.64 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.519 1.137 . . . . 44.229999999999997 111.007 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.412 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 22.1 ttp180 -151.25 107.1 3.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.461 0.742 . . . . 74.140000000000001 110.336 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.99 167.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 65.409999999999997 109.309 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.1 p -77.11 151.78 35.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 75.439999999999998 110.409 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 52.58 57.83 12.89 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.559 1.162 . . . . 62.5 111.025 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 43' ' ' ALA . 38.8 mm-40 -111.49 -42.82 3.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 74.219999999999999 110.337 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.51 99.87 0.2 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 70.230000000000004 109.3 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -75.0 -6.76 18.46 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.484 1.781 . . . . 70.109999999999999 111.003 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -94.24 -30.15 8.98 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.441 1.088 . . . . 63.409999999999997 110.967 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.403 ' O ' ' CE1' ' A' ' 48' ' ' TYR . 23.1 t80 -140.09 108.8 5.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 0.744 . . . . 73.200000000000003 111.009 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.4 p -78.28 145.87 35.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 74.420000000000002 110.011 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.527 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 2.2 m-30 -97.7 -173.66 2.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 74.5 111.031 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.459 ' CG2' ' HG2' ' A' ' 79' ' ' LYS . 3.1 p -50.93 175.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 65.430000000000007 110.382 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.73 -15.58 32.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.579 1.174 . . . . 65.450000000000003 109.261 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.78 -30.1 18.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 73.129999999999995 109.255 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.588 ' OD1' HD13 ' A' ' 75' ' ' ILE . 1.9 t30 -78.74 -50.91 10.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 72.120000000000005 109.319 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -44.42 -41.56 6.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 75.030000000000001 109.339 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -55.77 -45.97 78.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 64.310000000000002 109.328 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 52' ' ' ASN . 11.6 tptt -47.88 142.19 5.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 71.129999999999995 109.31 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.31 80.38 0.25 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.545 1.153 . . . . 74.099999999999994 110.983 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.8 pp -145.37 169.69 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 0.782 . . . . 74.010000000000005 109.28 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.9 mm -105.5 138.55 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 71.129999999999995 109.285 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -78.16 155.54 30.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 75.239999999999995 107.979 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.585 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -170.46 -158.73 14.87 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.541 1.15 . . . . 64.099999999999994 110.967 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -82.02 -37.8 25.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.76 . . . . 64.129999999999995 110.353 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -75.6 -59.71 2.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 64.109999999999999 109.285 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.401 ' H ' HG23 ' A' ' 63' ' ' THR . 72.5 p -47.74 -26.01 1.43 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 73.219999999999999 110.321 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.585 HD12 ' O ' ' A' ' 60' ' ' GLY . 32.8 mt -87.26 -38.97 15.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 75.519999999999996 109.342 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.1 mmt -57.82 -15.83 9.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 75.319999999999993 110.934 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -107.98 -41.68 4.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 74.209999999999994 110.325 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 14.1 t80 -62.2 -54.38 41.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 73.530000000000001 110.999 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.5 mt -58.42 -27.87 64.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 71.439999999999998 109.307 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -69.75 -32.28 70.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 72.120000000000005 110.249 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 42.4 m-20 -171.31 81.51 0.51 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 62.350000000000001 109.26 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.565 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.04 0.09 9.34 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.497 1.788 . . . . 74.420000000000002 111.013 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.51 -16.36 30.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 72.430000000000007 109.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -102.66 -25.43 13.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 55.5 109.313 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -73.25 -48.88 31.16 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.459 1.099 . . . . 73.430000000000007 110.945 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.588 HD13 ' OD1' ' A' ' 52' ' ' ASN . 5.1 mt -128.96 86.81 56.35 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 71.040000000000006 109.342 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 105.06 2.01 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 75.430000000000007 111.024 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 131.91 -10.69 5.42 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.42 1.075 . . . . 61.200000000000003 111.018 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.548 HG23 ' H ' ' A' ' 80' ' ' MET . 13.0 t -65.39 179.34 0.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 0.779 . . . . 74.510000000000005 110.378 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.459 ' HG2' ' CG2' ' A' ' 49' ' ' THR . 1.6 pttt -121.66 26.89 8.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 61.340000000000003 109.314 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.548 ' H ' HG23 ' A' ' 78' ' ' THR . 1.9 tpp -72.31 73.44 0.97 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.503 1.127 . . . . 75.049999999999997 110.982 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.682 ' O ' HG22 ' A' ' 81' ' ' ILE . 13.6 mt -66.11 81.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 73.129999999999995 109.331 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.517 ' CZ ' ' O ' ' A' ' 83' ' ' VAL . 10.1 t80 -148.78 145.68 27.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 64.530000000000001 111.054 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.517 ' O ' ' CZ ' ' A' ' 82' ' ' PHE . 21.4 m -81.23 148.2 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.572 1.17 . . . . 72.200000000000003 109.342 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -79.08 160.08 46.01 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.498 1.124 . . . . 44.210000000000001 110.95 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.456 HD12 ' HG2' ' A' ' 91' ' ' ARG . 4.1 mt -107.75 155.55 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 73.430000000000007 109.317 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -113.73 -40.36 3.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 72.239999999999995 109.243 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -70.84 148.76 47.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 71.109999999999999 109.324 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.1 mmtm -90.71 -44.41 9.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 73.430000000000007 109.236 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -55.15 -46.32 75.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.6 1.188 . . . . 73.439999999999998 110.233 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.09 -30.26 61.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 64.239999999999995 110.358 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.456 ' HG2' HD12 ' A' ' 85' ' ' ILE . 49.0 mtm-85 -83.38 -30.09 27.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 42.25 110.282 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.41 -54.25 31.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 62.140000000000001 109.38 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 96' ' ' ALA . 0.9 OUTLIER -59.15 -56.02 27.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.627 1.204 . . . . 75.329999999999998 109.335 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.572 ' CD1' HD12 ' A' ' 98' ' ' LEU . 2.5 tm? -50.41 -28.47 8.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 64.129999999999995 109.353 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.442 HD12 ' O ' ' A' ' 91' ' ' ARG . 55.3 mt -86.86 -29.05 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.591 1.182 . . . . 73.239999999999995 109.348 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -68.86 -27.33 65.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 61.140000000000001 109.301 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.822 ' HA ' HG12 ' A' ' 3' ' ' VAL . 0.8 OUTLIER -95.21 -29.18 14.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.152 . . . . 74.519999999999996 111.005 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.572 HD12 ' CD1' ' A' ' 94' ' ' LEU . 10.9 mt -73.64 -42.52 61.3 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 61.350000000000001 109.275 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -72.96 -16.24 61.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 74.099999999999994 109.284 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -102.48 -15.76 16.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 72.109999999999999 109.246 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 97' ' ' TYR . . . -81.44 -40.36 23.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 75.140000000000001 109.286 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 98' ' ' LEU . 13.8 p -92.15 20.96 5.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.417 1.073 . . . . 73.129999999999995 110.415 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -127.42 -51.41 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 70.439999999999998 109.327 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 74.299999999999997 110.302 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.016 -0.834 . . . . 52.200000000000003 111.016 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -41.83 153.53 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 0.764 . . . . 63.420000000000002 109.346 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.858 HG12 ' HA ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -112.23 -50.1 5.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 75.340000000000003 109.204 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 3' ' ' VAL . 29.1 mt-10 -38.41 -54.48 1.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 73.120000000000005 110.321 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.6 mmtp -47.12 -46.79 23.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 75.510000000000005 109.304 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.446 ' O ' ' CB ' ' A' ' 10' ' ' PHE . . . -74.91 -23.34 75.02 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 72.040000000000006 110.979 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.552 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 2.1 tppp? -71.84 -36.8 70.29 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.531 0.783 . . . . 74.430000000000007 109.311 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -79.93 -40.35 28.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 60.43 109.322 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.824 HG23 ' CE ' ' A' ' 13' ' ' LYS . 23.2 mt -69.02 -30.93 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 74.319999999999993 109.302 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.554 ' CE1' HG11 ' A' ' 20' ' ' VAL . 21.7 t80 -70.33 -17.04 63.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 72.239999999999995 111.032 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.449 ' O ' ' CB ' ' A' ' 15' ' ' SER . 56.8 mt -84.59 -58.96 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 74.439999999999998 109.277 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.4 mtt -63.99 -12.26 36.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 65.420000000000002 110.881 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.824 ' CE ' HG23 ' A' ' 9' ' ' ILE . 38.3 mttm -112.42 -34.1 5.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 64.409999999999997 109.284 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.495 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -134.39 78.12 1.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 32.539999999999999 108.375 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -115.06 147.64 39.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 63.310000000000002 110.036 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 39.22 38.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 65.25 110.345 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.3 m -137.04 -70.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 75.409999999999997 108.298 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.507 ' ND1' HD23 ' A' ' 32' ' ' LEU . 83.1 m-70 -91.42 159.54 15.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 64.329999999999998 109.629 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.499 ' C ' HG22 ' A' ' 20' ' ' VAL . 6.6 p -113.11 -28.34 7.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 63.549999999999997 110.37 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.554 HG11 ' CE1' ' A' ' 10' ' ' PHE . 28.6 m 46.05 26.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.544 1.153 . . . . 62.119999999999997 109.359 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 19' ' ' THR . 5.3 mt-10 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 55.240000000000002 110.277 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.441 ' O ' HG21 ' A' ' 19' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.341 -0.614 . . . . 63.340000000000003 109.341 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -76.62 119.94 21.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.446 1.091 . . . . 74.519999999999996 109.649 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -107.79 -95.88 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 74.230000000000004 109.325 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.8 m -80.82 -31.27 35.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 61.25 110.413 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.89 -160.04 8.19 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.515 1.134 . . . . 73.329999999999998 111.032 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.487 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 18.5 Cg_endo -74.95 150.37 38.29 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.533 1.807 . . . . 64.109999999999999 111.031 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -72.34 131.46 42.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 54.229999999999997 109.349 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.507 HD23 ' ND1' ' A' ' 18' ' ' HIS . 1.9 mm? -87.39 81.01 7.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 74.540000000000006 109.246 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -119.36 -56.22 2.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 64.430000000000007 109.617 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.16 58.53 0.6 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.119 . . . . 75.209999999999994 110.972 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.1 tp -75.5 -74.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 70.129999999999995 109.238 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.496 ' CZ ' ' HB2' ' A' ' 99' ' ' LYS . 24.5 m-85 -67.86 120.72 14.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 61.409999999999997 111.03 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.48 30.27 8.75 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 44.229999999999997 110.969 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.3 ttp180 -148.72 158.31 44.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 0.766 . . . . 74.140000000000001 110.328 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.436 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 13.0 mtmt -90.16 -179.49 5.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 65.409999999999997 109.34 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.3 p -87.18 133.18 33.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 75.439999999999998 110.451 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.527 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 71.01 54.22 9.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.557 1.16 . . . . 62.5 110.976 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 43' ' ' ALA . 66.7 mm-40 -107.99 -23.41 12.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 0.709 . . . . 74.219999999999999 110.312 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.539 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -39.54 99.93 0.2 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 70.230000000000004 109.361 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.0 Cg_endo -75.01 58.06 4.78 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 70.109999999999999 110.936 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -176.0 -37.99 0.05 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 63.409999999999997 111.092 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -119.32 123.46 44.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.778 . . . . 73.200000000000003 111.021 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.9 p -101.25 130.9 47.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 74.420000000000002 109.986 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.629 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -91.76 -175.53 4.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 74.5 111.075 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.87 HG23 ' HE2' ' A' ' 79' ' ' LYS . 8.1 p -58.67 179.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 65.430000000000007 110.42 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.64 12.97 15.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 65.450000000000003 109.345 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.58 -47.93 5.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 73.129999999999995 109.327 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.644 ' OD1' HD13 ' A' ' 75' ' ' ILE . 3.2 t30 -85.01 -47.16 10.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 72.120000000000005 109.291 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -46.42 -49.45 18.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 75.030000000000001 109.318 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -60.7 -31.51 70.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 64.310000000000002 109.333 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' ASN . 26.4 tptt -56.04 143.16 33.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 71.129999999999995 109.257 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.34 80.91 0.24 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 74.099999999999994 110.946 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.501 HD13 ' OH ' ' A' ' 74' ' ' TYR . 2.5 pp -145.36 170.51 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 0.737 . . . . 74.010000000000005 109.336 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.5 ' O ' HG21 ' A' ' 63' ' ' THR . 3.7 mm -106.7 137.32 37.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.109 . . . . 71.129999999999995 109.276 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 66.0 m95 -80.22 149.47 30.43 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.989 -1.115 . . . . 75.239999999999995 107.989 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.687 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -176.59 -165.46 32.2 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.469 1.105 . . . . 64.099999999999994 110.992 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.578 ' OE1' HG21 ' A' ' 95' ' ' ILE . 3.7 mm-40 -74.34 -33.29 63.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.796 . . . . 64.129999999999995 110.372 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.61 -55.19 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 64.109999999999999 109.309 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.5 HG21 ' O ' ' A' ' 58' ' ' ILE . 3.6 p -59.77 -49.0 79.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 73.219999999999999 110.413 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.687 HD12 ' O ' ' A' ' 60' ' ' GLY . 22.2 mt -57.52 -52.38 65.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 75.519999999999996 109.247 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.3 mmt -49.89 -21.87 1.31 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 1.164 . . . . 75.319999999999993 111.052 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -99.55 -30.64 12.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 74.209999999999994 110.299 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.53 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 3.5 t80 -73.88 -60.81 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 73.530000000000001 110.987 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.619 HD21 HD12 ' A' ' 94' ' ' LEU . 11.1 mp -44.19 -47.38 9.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.157 . . . . 71.439999999999998 109.321 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -52.0 -43.84 63.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 72.120000000000005 110.273 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -166.16 86.9 0.9 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 62.350000000000001 109.321 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.53 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.93 -0.27 9.73 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.503 1.791 . . . . 74.420000000000002 111.024 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -44.95 17.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 72.430000000000007 109.274 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -42.3 82.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 55.5 109.288 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.501 ' OH ' HD13 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -55.33 -58.46 7.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 73.430000000000007 110.964 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.644 HD13 ' OD1' ' A' ' 52' ' ' ASN . 3.6 mt -130.9 85.05 56.42 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 71.040000000000006 109.337 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.86 135.11 18.91 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.438 1.757 . . . . 75.430000000000007 111.082 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.13 6.9 58.75 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 61.200000000000003 111.082 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.5 t -72.8 168.11 19.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 0.758 . . . . 74.510000000000005 110.415 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.87 ' HE2' HG23 ' A' ' 49' ' ' THR . 23.8 mttm -80.99 -21.11 40.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.153 . . . . 61.340000000000003 109.238 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.5 tpp -43.01 138.34 2.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 75.049999999999997 110.978 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.401 HG22 ' O ' ' A' ' 81' ' ' ILE . 22.7 mm -116.23 47.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 73.129999999999995 109.3 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.42 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 11.8 t80 -118.24 148.7 42.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 64.530000000000001 111.037 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.7 m -98.41 -32.03 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 72.200000000000003 109.273 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.42 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 124.32 -179.75 16.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.557 1.16 . . . . 44.210000000000001 111.025 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.4 mt -120.89 138.42 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.754 . . . . 73.430000000000007 109.295 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -94.51 -27.64 15.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 72.239999999999995 109.282 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 40.1 mttp -90.35 107.31 19.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 71.109999999999999 109.293 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.9 tttm -61.75 -33.45 74.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.086 . . . . 73.430000000000007 109.293 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -61.87 -33.65 74.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 73.439999999999998 110.22 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.27 -8.51 57.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 64.239999999999995 110.334 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.438 ' O ' ' CG1' ' A' ' 95' ' ' ILE . 47.7 mtt180 -89.28 -34.06 16.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 42.25 110.264 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 96' ' ' ALA . . . -67.3 -51.35 53.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 62.140000000000001 109.283 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.05 -45.36 95.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 75.329999999999998 109.316 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.622 HD13 HD12 ' A' ' 98' ' ' LEU . 1.9 tm? -64.22 -36.69 84.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 64.129999999999995 109.323 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.578 HG21 ' OE1' ' A' ' 61' ' ' GLU . 68.3 mt -79.78 -16.25 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 73.239999999999995 109.338 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 92' ' ' ALA . . . -74.42 -40.01 62.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 61.140000000000001 109.245 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.858 ' HA ' HG12 ' A' ' 3' ' ' VAL . 1.2 t80 -86.1 -27.34 24.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 74.519999999999996 110.94 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.622 HD12 HD13 ' A' ' 94' ' ' LEU . 10.7 mt -73.97 -31.35 62.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 61.350000000000001 109.273 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 60.2 tttm -83.81 -14.5 51.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 74.099999999999994 109.335 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -107.09 -14.65 14.87 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 72.109999999999999 109.296 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 97' ' ' TYR . . . -77.42 -48.57 16.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 75.140000000000001 109.303 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 31.0 p -88.72 17.83 5.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.411 1.07 . . . . 73.129999999999995 110.366 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -107.97 -40.72 5.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 70.439999999999998 109.274 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 74.299999999999997 110.341 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.584 ' O ' ' HB1' ' A' ' 96' ' ' ALA . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.972 -0.851 . . . . 52.200000000000003 110.972 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.42 153.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.741 . . . . 63.420000000000002 109.275 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.61 HG23 ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -110.35 -39.72 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 75.340000000000003 109.283 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -51.84 -49.32 63.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.403 1.065 . . . . 73.120000000000005 110.314 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.598 ' O ' HD12 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -58.22 -20.63 43.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 75.510000000000005 109.231 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.19 -22.08 13.88 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.148 . . . . 72.040000000000006 110.986 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.562 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 23.9 tttm -76.71 -25.26 53.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.788 . . . . 74.430000000000007 109.357 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -82.61 -44.64 15.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.611 1.194 . . . . 60.43 109.251 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.748 HG23 ' HE2' ' A' ' 13' ' ' LYS . 22.4 mt -68.45 -37.48 77.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 74.319999999999993 109.34 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.559 ' CE1' HG11 ' A' ' 20' ' ' VAL . 17.3 t80 -59.46 -17.45 31.29 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.103 . . . . 72.239999999999995 111.005 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.472 ' O ' ' CB ' ' A' ' 15' ' ' SER . 17.5 mt -84.27 -60.46 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 74.439999999999998 109.295 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.7 mmm -64.48 -10.6 26.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 65.420000000000002 111.026 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.748 ' HE2' HG23 ' A' ' 9' ' ' ILE . 49.6 mttm -112.79 -36.16 5.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 64.409999999999997 109.355 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.487 ' HB2' ' CD1' ' A' ' 10' ' ' PHE . 1.4 m -133.14 75.7 1.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 32.539999999999999 108.292 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER -111.24 143.9 41.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 63.310000000000002 110.044 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 38.96 36.92 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 65.25 110.261 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 m -134.78 -48.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 75.409999999999997 108.251 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -115.63 129.0 56.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 64.329999999999998 109.609 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.502 ' O ' HG22 ' A' ' 20' ' ' VAL . 25.5 p -83.05 -32.37 26.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 63.549999999999997 110.383 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.559 HG11 ' CE1' ' A' ' 10' ' ' PHE . 36.0 m 46.33 51.29 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 62.119999999999997 109.367 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 55.240000000000002 110.246 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.255 -0.646 . . . . 63.340000000000003 109.255 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -130.53 73.79 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 74.519999999999996 109.588 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' GLY . 24.9 mmmt -53.59 -173.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 74.230000000000004 109.291 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 m -38.84 -29.92 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.481 1.113 . . . . 61.25 110.375 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -115.9 164.43 12.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 73.329999999999998 111.073 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 148.72 35.4 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.532 1.806 . . . . 64.109999999999999 110.995 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.529 ' O ' HD23 ' A' ' 32' ' ' LEU . 21.8 t-20 -58.2 144.09 41.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 54.229999999999997 109.295 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.567 ' O ' HG22 ' A' ' 102' ' ' THR . 11.4 mt -124.68 83.06 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 74.540000000000006 109.335 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -103.24 -40.25 6.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 64.430000000000007 109.598 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.44 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -101.74 27.76 18.99 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.127 . . . . 75.209999999999994 111.012 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.459 ' CB ' HG21 ' A' ' 102' ' ' THR . 12.5 tp -40.43 -68.55 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 70.129999999999995 109.326 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.542 ' CE2' ' HA ' ' A' ' 99' ' ' LYS . 29.6 m-85 -76.34 95.73 3.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.619 1.2 . . . . 61.409999999999997 110.952 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.22 32.25 1.7 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.584 1.177 . . . . 44.229999999999997 110.961 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.44 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 51.0 ttm-85 -145.28 138.41 26.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 74.140000000000001 110.318 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.456 ' HD3' ' CD1' ' A' ' 58' ' ' ILE . 2.7 mppt? -76.17 -175.24 3.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.455 1.097 . . . . 65.409999999999997 109.268 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.7 p -96.89 124.32 40.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 75.439999999999998 110.369 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.72 64.54 1.37 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.144 . . . . 62.5 110.961 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 44' ' ' PRO . 81.6 mm-40 -123.9 -41.8 2.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 0.794 . . . . 74.219999999999999 110.281 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.474 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . . . -39.52 99.92 0.2 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.085 . . . . 70.230000000000004 109.282 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -75.01 -15.49 20.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.55 1.816 . . . . 70.109999999999999 110.968 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.71 -49.21 6.69 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.568 1.168 . . . . 63.409999999999997 111.005 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -133.55 91.81 2.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 73.200000000000003 111.0 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 64.1 p -64.8 144.42 57.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 74.420000000000002 109.975 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.598 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -87.89 -174.94 4.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 74.5 111.022 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.0 p -55.81 175.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 65.430000000000007 110.364 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.434 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -84.9 -15.73 43.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 65.450000000000003 109.323 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.5 -27.82 34.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 73.129999999999995 109.32 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' LYS . 2.0 t30 -87.87 -52.9 5.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 72.120000000000005 109.305 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -41.87 -30.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 75.030000000000001 109.287 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -65.06 -51.89 58.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 64.310000000000002 109.292 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 52' ' ' ASN . 23.1 tptt -40.59 140.44 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 71.129999999999995 109.275 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.59 66.03 0.48 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.547 1.155 . . . . 74.099999999999994 111.027 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.8 pp -133.61 164.25 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 74.010000000000005 109.243 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.456 ' CD1' ' HD3' ' A' ' 39' ' ' LYS . 2.7 mm -92.58 138.67 19.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.466 1.104 . . . . 71.129999999999995 109.334 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -81.51 100.0 9.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.107 . . . . 75.239999999999995 108.03 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -114.91 -167.42 15.48 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.502 1.126 . . . . 64.099999999999994 111.03 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -75.67 -52.59 10.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 0.733 . . . . 64.129999999999995 110.373 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -53.86 -49.24 68.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 64.109999999999999 109.277 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 64.7 p -56.76 -65.83 0.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 73.219999999999999 110.37 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.564 ' O ' HD12 ' A' ' 68' ' ' LEU . 45.5 mt -43.95 -42.35 5.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.577 1.173 . . . . 75.519999999999996 109.316 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.535 ' HE3' ' HB3' ' A' ' 91' ' ' ARG . 3.5 tpt -48.74 -56.84 7.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 75.319999999999993 110.94 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -70.45 -58.2 3.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 74.209999999999994 110.36 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -43.04 -31.91 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.065 . . . . 73.530000000000001 111.033 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 64' ' ' LEU . 10.3 mt -70.79 -50.63 33.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 71.439999999999998 109.3 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -51.28 -32.15 23.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 72.120000000000005 110.359 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -168.01 88.57 0.69 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 62.350000000000001 109.334 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.28 1.24 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.533 1.807 . . . . 74.420000000000002 110.955 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.4 -50.65 51.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 72.430000000000007 109.287 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -60.93 -52.81 63.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 55.5 109.302 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -48.45 -28.94 3.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 73.430000000000007 111.016 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.1 mt -148.41 90.07 5.01 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 71.040000000000006 109.325 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 122.39 7.16 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.433 1.754 . . . . 75.430000000000007 110.988 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.34 3.15 38.3 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 61.200000000000003 110.987 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.4 t -70.77 160.74 32.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 74.510000000000005 110.337 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -83.02 -39.98 20.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 61.340000000000003 109.269 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.3 ttt -45.06 129.51 7.57 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.487 1.117 . . . . 75.049999999999997 110.991 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mt -109.73 124.16 66.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 73.129999999999995 109.353 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -154.63 176.9 11.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 64.530000000000001 110.956 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.2 m -122.54 -45.72 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 72.200000000000003 109.319 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.11 139.41 5.34 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.577 1.173 . . . . 44.210000000000001 111.011 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 14.8 mt -92.34 145.04 8.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.503 0.766 . . . . 73.430000000000007 109.278 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.82 -63.58 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 72.239999999999995 109.254 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -57.11 110.91 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 71.109999999999999 109.333 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -22.15 66.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 73.430000000000007 109.313 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -64.71 -32.29 73.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 73.439999999999998 110.255 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -77.45 -31.71 54.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 64.239999999999995 110.265 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.535 ' HB3' ' HE3' ' A' ' 65' ' ' MET . 88.6 mtm-85 -74.37 -22.48 59.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 42.25 110.262 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.92 -45.8 23.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 62.140000000000001 109.285 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.73 -51.29 43.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 75.329999999999998 109.243 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 65.0 tp -47.23 -38.54 12.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 64.129999999999995 109.302 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.509 HD12 ' O ' ' A' ' 91' ' ' ARG . 81.9 mt -78.17 -42.74 27.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 73.239999999999995 109.35 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.584 ' HB1' ' O ' ' A' ' 1' ' ' GLY . . . -52.45 -22.22 4.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 61.140000000000001 109.28 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.709 ' CE1' ' HB2' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -93.19 -55.66 3.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 74.519999999999996 111.012 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.605 ' O ' HG23 ' A' ' 102' ' ' THR . 13.9 mt -53.67 -24.65 15.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 61.350000000000001 109.317 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.542 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 10.9 pttp -76.6 -32.83 58.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 74.099999999999994 109.323 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -90.96 -14.6 31.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 72.109999999999999 109.328 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.709 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -82.61 -48.24 11.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 75.140000000000001 109.297 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 98' ' ' LEU . 41.7 p -81.71 4.47 21.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 73.129999999999995 110.398 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -104.13 -62.08 1.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 70.439999999999998 109.237 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 74.299999999999997 110.294 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.979 -0.848 . . . . 52.200000000000003 110.979 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -52.08 163.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 63.420000000000002 109.277 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.848 HG12 ' HA ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -114.75 -52.02 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.108 . . . . 75.340000000000003 109.273 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -40.49 -50.91 2.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.622 1.201 . . . . 73.120000000000005 110.336 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -50.44 -44.03 55.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 75.510000000000005 109.258 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -79.37 -20.14 70.05 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.479 1.112 . . . . 72.040000000000006 111.044 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.565 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 15.8 ttpp -76.04 -21.12 57.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.401 0.707 . . . . 74.430000000000007 109.272 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -90.02 -29.55 18.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 60.43 109.286 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.669 HG23 ' CE ' ' A' ' 13' ' ' LYS . 18.7 mt -85.38 -19.28 8.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.163 . . . . 74.319999999999993 109.333 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.472 ' CD1' ' HB2' ' A' ' 14' ' ' CYS . 9.4 t80 -78.1 -25.32 47.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 72.239999999999995 111.073 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.497 ' O ' ' CB ' ' A' ' 15' ' ' SER . 56.8 mt -81.82 -74.4 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 74.439999999999998 109.253 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 34.2 mmm -38.38 -29.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.46 1.1 . . . . 65.420000000000002 111.037 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.669 ' CE ' HG23 ' A' ' 9' ' ' ILE . 34.6 mttm -99.23 -65.63 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 64.409999999999997 109.32 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.472 ' HB2' ' CD1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -92.81 62.22 3.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.088 . . . . 32.539999999999999 108.303 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -101.21 151.55 21.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 63.310000000000002 110.007 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 38.95 30.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 65.25 110.27 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.434 ' HA ' ' CG2' ' A' ' 28' ' ' THR . 2.0 m -132.7 -71.43 0.53 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 75.409999999999997 108.302 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -93.93 155.31 17.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 64.329999999999998 109.591 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.686 ' O ' HG22 ' A' ' 20' ' ' VAL . 56.9 p -117.2 -36.13 3.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 63.549999999999997 110.363 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.701 HG12 ' HB2' ' A' ' 32' ' ' LEU . 8.7 m 49.05 27.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 62.119999999999997 109.266 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.427 ' CG ' ' HB ' ' A' ' 19' ' ' THR . 1.8 pt-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 55.240000000000002 110.311 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 pttp . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.279 -0.638 . . . . 63.340000000000003 109.279 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.428 ' CE1' ' H ' ' A' ' 31' ' ' ASN . 7.3 m170 -64.02 131.38 47.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 74.519999999999996 109.588 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.63 -85.21 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 74.230000000000004 109.279 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.434 ' CG2' ' HA ' ' A' ' 17' ' ' CYS . 24.2 p -87.92 -34.98 17.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 61.25 110.374 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -136.3 -176.74 14.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.442 1.089 . . . . 73.329999999999998 110.979 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.449 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -75.02 143.34 28.89 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.408 1.741 . . . . 64.109999999999999 110.985 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.565 ' O ' HD22 ' A' ' 32' ' ' LEU . 13.7 t-20 -53.08 161.75 0.78 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.6 1.188 . . . . 54.229999999999997 109.306 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.872 ' O ' HG22 ' A' ' 102' ' ' THR . 2.7 mm? -120.93 72.85 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 74.540000000000006 109.243 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -120.9 -48.67 2.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 64.430000000000007 109.625 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.11 22.88 36.4 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 75.209999999999994 110.965 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.73 ' HB2' HD13 ' A' ' 32' ' ' LEU . 10.9 tp -49.4 -74.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 70.129999999999995 109.316 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.537 ' CE2' ' HG3' ' A' ' 99' ' ' LYS . 8.3 m-85 -54.5 132.56 44.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 61.409999999999997 111.027 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.89 33.32 41.97 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.532 1.145 . . . . 44.229999999999997 111.055 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -145.21 135.83 24.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 0.749 . . . . 74.140000000000001 110.256 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.443 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 6.8 mtmm -73.1 -178.86 3.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 65.409999999999997 109.29 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.0 p -90.06 141.53 28.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 75.439999999999998 110.391 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.417 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 61.99 57.98 14.85 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.565 1.165 . . . . 62.5 111.025 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 44' ' ' PRO . 96.4 mm-40 -115.63 -41.91 3.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 74.219999999999999 110.286 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.44 99.84 0.2 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 70.230000000000004 109.355 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.4 Cg_endo -74.95 -0.62 10.16 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.5 1.79 . . . . 70.109999999999999 111.019 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.12 -46.62 2.8 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 63.409999999999997 111.008 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.443 ' O ' ' CE1' ' A' ' 48' ' ' TYR . 36.9 t80 -125.82 81.61 2.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 0.778 . . . . 73.200000000000003 111.004 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.6 t -56.28 139.49 47.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.58 1.175 . . . . 74.420000000000002 110.005 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.545 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 1.9 m-30 -91.73 -175.99 4.33 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.63 1.206 . . . . 74.5 111.039 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 p -62.51 161.26 12.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 65.430000000000007 110.339 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.51 -23.17 66.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 65.450000000000003 109.247 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.94 -70.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 73.129999999999995 109.277 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.96 -42.19 36.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.406 1.066 . . . . 72.120000000000005 109.297 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -48.27 -50.21 30.7 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.414 1.071 . . . . 75.030000000000001 109.244 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -49.14 -55.66 11.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 64.310000000000002 109.265 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.476 ' HE3' ' CE1' ' A' ' 74' ' ' TYR . 4.9 tppt? -43.39 137.79 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 71.129999999999995 109.298 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.25 64.7 0.5 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.567 1.167 . . . . 74.099999999999994 111.029 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.454 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.0 pp -124.87 164.91 22.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.509 0.77 . . . . 74.010000000000005 109.287 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.443 ' CD1' ' HG3' ' A' ' 39' ' ' LYS . 4.1 mm -92.19 142.65 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 71.129999999999995 109.312 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.569 ' CH2' ' CD2' ' A' ' 67' ' ' TYR . 23.1 m95 -86.54 152.15 22.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 75.239999999999995 108.015 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.415 ' C ' ' N ' ' A' ' 62' ' ' ASP . . . 178.12 146.52 6.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.118 . . . . 64.099999999999994 111.031 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.586 ' CB ' ' CG2' ' A' ' 95' ' ' ILE . 1.4 pt-20 -40.18 -29.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 64.129999999999995 110.268 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.415 ' N ' ' C ' ' A' ' 60' ' ' GLY . 0.4 OUTLIER -67.18 -61.93 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 64.109999999999999 109.323 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.9 p -58.93 -26.08 64.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 73.219999999999999 110.369 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.436 HD11 HD21 ' A' ' 35' ' ' LEU . 70.1 mt -73.06 -41.84 63.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 75.519999999999996 109.328 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 34.0 tpp -61.29 -18.42 58.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.075 . . . . 75.319999999999993 111.05 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -107.58 -27.67 10.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 74.209999999999994 110.259 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.637 ' CE1' ' CB ' ' A' ' 71' ' ' PRO . 7.8 t80 -87.59 -10.63 50.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 73.530000000000001 110.997 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.428 ' HA ' HD23 ' A' ' 68' ' ' LEU . 12.9 mt -84.12 -37.45 21.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 71.439999999999998 109.265 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -51.59 -35.55 41.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 72.120000000000005 110.225 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -170.56 82.91 0.55 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 62.350000000000001 109.305 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.637 ' CB ' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.04 0.18 9.23 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.582 1.833 . . . . 74.420000000000002 111.038 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -84.87 -18.76 33.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 72.430000000000007 109.302 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -94.81 -52.23 4.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 55.5 109.303 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.476 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 2.9 t80 -41.35 -28.85 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 73.430000000000007 111.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.643 HG22 ' HB ' ' A' ' 78' ' ' THR . 6.5 mt -143.62 90.13 7.2 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 71.040000000000006 109.291 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 119.57 5.7 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.451 1.764 . . . . 75.430000000000007 110.942 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.04 13.27 34.28 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.46 1.1 . . . . 61.200000000000003 110.959 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.643 ' HB ' HG22 ' A' ' 75' ' ' ILE . 13.2 t -81.34 175.02 10.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 74.510000000000005 110.397 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.437 ' O ' ' CD1' ' A' ' 81' ' ' ILE . 3.0 mtmt -96.05 -15.95 21.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 61.340000000000003 109.246 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.1 tpp -51.77 108.94 0.31 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.144 . . . . 75.049999999999997 110.996 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.437 ' CD1' ' O ' ' A' ' 79' ' ' LYS . 16.5 mm -93.43 69.83 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 73.129999999999995 109.295 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -146.28 128.79 16.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 64.530000000000001 111.032 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.9 m -87.6 -15.69 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 72.200000000000003 109.363 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 97.45 168.14 32.69 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.562 1.164 . . . . 44.210000000000001 111.046 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.485 ' H ' HD12 ' A' ' 85' ' ' ILE . 2.8 mp -99.45 167.95 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.558 0.799 . . . . 73.430000000000007 109.233 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.46 ' N ' HG22 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -105.26 -65.19 1.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.16 . . . . 72.239999999999995 109.317 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -47.05 130.14 12.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.61 1.194 . . . . 71.109999999999999 109.296 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -74.91 -34.29 62.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.568 1.168 . . . . 73.430000000000007 109.269 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -62.49 -43.4 98.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 73.439999999999998 110.266 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.487 ' OE2' HD11 ' A' ' 9' ' ' ILE . 2.6 mm-40 -64.58 -33.9 77.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 64.239999999999995 110.313 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.438 ' NH1' ' O ' ' A' ' 85' ' ' ILE . 52.8 mtm-85 -72.04 -37.27 69.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 42.25 110.275 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.98 -61.71 2.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 62.140000000000001 109.321 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 96' ' ' ALA . 28.0 m-20 -52.6 -53.98 39.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 75.329999999999998 109.272 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.415 ' HG ' ' CD1' ' A' ' 98' ' ' LEU . 58.4 tp -47.78 -39.91 19.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 64.129999999999995 109.352 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.586 ' CG2' ' CB ' ' A' ' 61' ' ' GLU . 65.2 mt -75.99 -30.18 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 73.239999999999995 109.3 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -66.08 -32.97 74.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 61.140000000000001 109.334 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.848 ' HA ' HG12 ' A' ' 3' ' ' VAL . 0.9 OUTLIER -90.02 -35.64 15.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 74.519999999999996 111.024 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.415 ' CD1' ' HG ' ' A' ' 94' ' ' LEU . 38.1 mt -63.93 -18.84 64.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 61.350000000000001 109.292 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.537 ' HG3' ' CE2' ' A' ' 36' ' ' PHE . 32.1 tttm -95.4 -52.57 4.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 74.099999999999994 109.328 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -64.38 -15.7 60.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 72.109999999999999 109.284 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 97' ' ' TYR . . . -78.83 -57.18 3.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 75.140000000000001 109.308 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.872 HG22 ' O ' ' A' ' 32' ' ' LEU . 44.7 p -71.74 -20.7 61.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 73.129999999999995 110.41 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -64.22 -65.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 70.439999999999998 109.261 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 74.299999999999997 110.327 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.039 -0.824 . . . . 52.200000000000003 111.039 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -42.43 154.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 0.817 . . . . 63.420000000000002 109.337 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.839 HG12 ' HA ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -113.11 -53.23 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 75.340000000000003 109.311 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -38.43 -57.14 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 73.120000000000005 110.322 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.496 ' O ' HD12 ' A' ' 9' ' ' ILE . 5.0 mptp? -45.16 -45.02 11.24 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 75.510000000000005 109.294 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -73.92 -26.8 68.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 72.040000000000006 110.974 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.552 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 8.5 ttpp -75.41 -20.55 58.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.463 0.743 . . . . 74.430000000000007 109.278 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -94.04 -19.56 20.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 60.43 109.276 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.496 HD12 ' O ' ' A' ' 5' ' ' LYS . 19.8 mt -98.1 -15.4 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 74.319999999999993 109.299 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.622 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 9.1 t80 -84.93 -29.11 25.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 72.239999999999995 110.996 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.494 ' O ' ' CB ' ' A' ' 15' ' ' SER . 84.8 mt -81.63 -69.1 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 74.439999999999998 109.27 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.2 mmt -38.12 -30.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 65.420000000000002 111.012 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.538 ' HE2' ' CZ ' ' A' ' 82' ' ' PHE . 4.9 mtpm? -103.36 -67.77 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 64.409999999999997 109.302 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -84.77 60.31 6.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 32.539999999999999 108.285 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -100.54 152.49 20.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 63.310000000000002 110.018 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.403 ' HA ' ' NZ ' ' A' ' 27' ' ' LYS . 16.0 mt-30 39.75 31.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 65.25 110.372 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.7 m -135.1 -67.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 75.409999999999997 108.334 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -97.23 151.03 20.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 64.329999999999998 109.58 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.673 ' O ' HG22 ' A' ' 20' ' ' VAL . 17.4 p -114.08 -32.02 6.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 63.549999999999997 110.334 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 19' ' ' THR . 12.1 m 48.72 27.46 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 62.119999999999997 109.286 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 55.240000000000002 110.28 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.347 -0.612 . . . . 63.340000000000003 109.347 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.402 ' CD2' ' H ' ' A' ' 26' ' ' HIS . 4.6 m-70 -73.01 121.97 20.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 74.519999999999996 109.562 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.403 ' NZ ' ' HA ' ' A' ' 16' ' ' GLN . 30.0 mtmt -110.45 -101.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 74.230000000000004 109.262 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -74.74 -28.65 60.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 61.25 110.44 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -143.28 -162.76 9.47 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.55 1.156 . . . . 73.329999999999998 110.983 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.409 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.01 152.7 41.02 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.441 1.759 . . . . 64.109999999999999 110.916 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -76.44 135.12 39.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 54.229999999999997 109.321 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.2 mt -94.37 81.19 3.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 74.540000000000006 109.355 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -104.75 -58.53 1.87 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 64.430000000000007 109.597 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.07 37.63 3.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.431 1.082 . . . . 75.209999999999994 111.028 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.591 ' CB ' HG21 ' A' ' 102' ' ' THR . 42.9 tp -41.19 -54.48 2.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 70.129999999999995 109.249 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.553 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 15.0 m-85 -87.01 106.65 17.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 61.409999999999997 110.959 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.55 27.75 5.11 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 44.229999999999997 111.004 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -137.41 124.75 21.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 74.140000000000001 110.311 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -61.92 -174.39 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 65.409999999999997 109.32 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.7 p -94.05 111.63 23.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 75.439999999999998 110.367 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.473 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 88.77 62.15 1.4 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.524 1.14 . . . . 62.5 111.045 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 43' ' ' ALA . 70.4 mm-40 -112.26 -39.73 4.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.41 0.712 . . . . 74.219999999999999 110.352 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.451 ' CB ' ' OH ' ' A' ' 48' ' ' TYR . . . -39.51 99.91 0.2 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 70.230000000000004 109.334 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -74.99 -1.52 11.32 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.519 1.8 . . . . 70.109999999999999 110.998 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.94 -14.7 28.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.465 1.103 . . . . 63.409999999999997 111.034 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -151.02 120.93 7.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 73.200000000000003 111.03 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.0 p -95.67 138.28 33.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 74.420000000000002 109.95 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.621 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -98.24 -174.91 2.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 74.5 111.042 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.0 p -61.3 175.62 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.405 1.066 . . . . 65.430000000000007 110.327 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.426 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -80.86 -15.92 55.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 65.450000000000003 109.282 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.3 -51.49 17.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 73.129999999999995 109.275 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 55' ' ' LYS . 2.5 t30 -73.14 -51.5 17.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 72.120000000000005 109.278 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -47.3 -43.36 22.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 75.030000000000001 109.25 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -61.59 -35.98 79.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 64.310000000000002 109.315 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 52' ' ' ASN . 6.8 tptp -47.08 144.67 2.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.457 1.098 . . . . 71.129999999999995 109.348 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.6 68.48 0.44 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 74.099999999999994 111.014 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.645 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.2 pp -143.39 165.46 14.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.437 0.728 . . . . 74.010000000000005 109.323 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.6 mm -98.25 156.44 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 71.129999999999995 109.296 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -97.69 143.71 28.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 75.239999999999995 108.024 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.553 ' HA2' ' CE2' ' A' ' 36' ' ' PHE . . . -164.19 -153.07 7.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.113 . . . . 64.099999999999994 111.039 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -87.93 -37.94 16.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.471 0.747 . . . . 64.129999999999995 110.353 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -73.69 -49.45 25.7 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 64.109999999999999 109.318 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.6 p -60.53 -27.65 67.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 73.219999999999999 110.353 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 64' ' ' LEU . 19.7 mt -84.31 -39.88 18.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 75.519999999999996 109.329 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.487 ' HE2' ' HB3' ' A' ' 91' ' ' ARG . 3.8 mmt -53.61 -22.99 9.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 75.319999999999993 111.035 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -98.09 -47.73 5.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.11 . . . . 74.209999999999994 110.278 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.56 ' CD1' ' HB3' ' A' ' 71' ' ' PRO . 34.6 t80 -52.41 -41.09 62.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 73.530000000000001 111.049 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.6 mt -72.07 -43.09 65.42 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.557 1.161 . . . . 71.439999999999998 109.288 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -52.48 -39.14 60.87 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.496 1.123 . . . . 72.120000000000005 110.294 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -170.37 82.66 0.57 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 62.350000000000001 109.301 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.56 ' HB3' ' CD1' ' A' ' 67' ' ' TYR . 18.5 Cg_endo -74.9 0.08 9.29 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.779 . . . . 74.420000000000002 111.033 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.498 ' HA ' ' CE ' ' A' ' 72' ' ' LYS . 0.3 OUTLIER -80.34 -30.79 38.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 72.430000000000007 109.322 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -86.94 -34.91 19.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 55.5 109.307 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -59.73 -55.06 39.06 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.515 1.134 . . . . 73.430000000000007 111.006 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.2 mt -134.86 82.1 44.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 71.040000000000006 109.209 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 109.85 3.0 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.476 1.777 . . . . 75.430000000000007 110.931 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.4 -10.28 8.18 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.449 1.093 . . . . 61.200000000000003 111.013 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.1 t -54.47 160.7 1.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 74.510000000000005 110.37 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -78.32 -21.81 49.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.108 . . . . 61.340000000000003 109.271 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.2 ttt -64.89 119.74 11.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 75.049999999999997 110.974 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.3 mm -96.35 116.94 39.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 73.129999999999995 109.307 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.538 ' CZ ' ' HE2' ' A' ' 13' ' ' LYS . 14.5 t80 -172.95 165.93 5.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 64.530000000000001 111.032 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.52 HG23 ' N ' ' A' ' 84' ' ' GLY . 22.0 m -112.09 -52.26 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 72.200000000000003 109.328 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.52 ' N ' HG23 ' A' ' 83' ' ' VAL . . . 143.31 175.65 16.61 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 44.210000000000001 110.976 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.6 mt -110.94 147.21 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 73.430000000000007 109.314 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.87 -54.7 3.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 72.239999999999995 109.255 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.4 mtmm -65.33 113.41 4.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 71.109999999999999 109.269 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -71.61 -24.45 61.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 73.430000000000007 109.252 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -67.74 -42.79 81.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 73.439999999999998 110.262 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -63.44 -24.42 67.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 64.239999999999995 110.257 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.487 ' HB3' ' HE2' ' A' ' 65' ' ' MET . 38.3 mtm180 -73.06 -35.52 66.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 42.25 110.328 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.538 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -63.83 -35.23 79.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 62.140000000000001 109.297 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -76.37 -53.53 8.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 75.329999999999998 109.3 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.446 ' CD1' ' HB2' ' A' ' 10' ' ' PHE . 31.3 tp -56.95 -31.42 64.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 64.129999999999995 109.28 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.417 ' CG1' ' O ' ' A' ' 91' ' ' ARG . 69.6 mt -84.39 -37.35 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 73.239999999999995 109.368 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -63.49 -31.72 72.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.583 1.177 . . . . 61.140000000000001 109.36 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.839 ' HA ' HG12 ' A' ' 3' ' ' VAL . 0.4 OUTLIER -85.75 -31.42 22.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 74.519999999999996 111.006 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 102' ' ' THR . 12.4 mt -76.68 -27.34 55.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 61.350000000000001 109.279 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.542 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 15.9 pttm -79.11 -31.9 44.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 74.099999999999994 109.268 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -90.44 -25.89 20.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 72.109999999999999 109.358 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 97' ' ' TYR . . . -68.45 -48.31 64.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 75.140000000000001 109.371 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.591 HG21 ' CB ' ' A' ' 35' ' ' LEU . 42.7 p -82.85 6.78 17.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 73.129999999999995 110.477 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -96.74 -51.33 4.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 70.439999999999998 109.274 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 74.299999999999997 110.257 -179.92 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.983 -0.847 . . . . 52.200000000000003 110.983 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.25 175.57 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 0.791 . . . . 63.420000000000002 109.283 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.805 HG23 ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -110.81 -42.93 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 75.340000000000003 109.303 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.437 ' O ' ' CD ' ' A' ' 8' ' ' LYS . 1.2 mp0 -53.37 -32.81 51.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 73.120000000000005 110.347 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -69.47 -27.74 65.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.396 1.06 . . . . 75.510000000000005 109.298 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.24 -12.87 40.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.444 1.09 . . . . 72.040000000000006 110.93 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.562 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 22.9 tttp -74.44 -35.94 63.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 0.787 . . . . 74.430000000000007 109.312 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.437 ' CD ' ' O ' ' A' ' 4' ' ' GLU . 0.8 OUTLIER -69.2 -43.53 73.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 60.43 109.321 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.1 mt -64.71 -32.55 58.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 74.319999999999993 109.308 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.501 ' CZ ' ' CG1' ' A' ' 20' ' ' VAL . 61.9 t80 -73.0 -23.09 60.59 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.604 1.19 . . . . 72.239999999999995 111.016 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.7 mt -97.23 -9.9 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 74.439999999999998 109.322 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 6.9 mmt -105.4 -6.86 19.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 65.420000000000002 111.037 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -134.04 -66.01 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 64.409999999999997 109.326 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.493 ' HB2' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -88.48 55.79 3.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 32.539999999999999 108.309 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -108.95 156.11 20.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 63.310000000000002 109.956 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 48.39 24.01 0.66 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 65.25 110.301 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.7 m -130.81 -68.4 0.68 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.578 1.174 . . . . 75.409999999999997 108.309 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.649 ' ND1' HD11 ' A' ' 32' ' ' LEU . 80.8 m-70 -86.2 170.3 12.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 64.329999999999998 109.571 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.678 ' O ' HG22 ' A' ' 20' ' ' VAL . 41.2 p -121.32 -41.47 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 63.549999999999997 110.411 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.928 HG12 HD13 ' A' ' 32' ' ' LEU . 9.8 m 48.89 27.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.394 1.059 . . . . 62.119999999999997 109.293 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.414 ' CG ' ' HB ' ' A' ' 19' ' ' THR . 2.4 pt-20 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 55.240000000000002 110.345 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.5 pttt . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.308 -0.627 . . . . 63.340000000000003 109.308 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -87.23 83.35 7.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 74.519999999999996 109.643 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -66.76 -167.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 74.230000000000004 109.324 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 p -38.37 -37.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 61.25 110.386 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.98 156.71 15.45 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.496 1.123 . . . . 73.329999999999998 110.972 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 152.78 41.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.524 1.802 . . . . 64.109999999999999 110.973 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.436 ' ND2' ' OG1' ' A' ' 19' ' ' THR . 7.2 t-20 -69.72 168.64 14.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 54.229999999999997 109.321 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.928 HD13 HG12 ' A' ' 20' ' ' VAL . 1.3 mp -140.63 107.87 5.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 74.540000000000006 109.339 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.427 ' H ' ' NH2' ' A' ' 38' ' ' ARG . 3.1 t-160 -116.39 -65.99 1.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 64.430000000000007 109.566 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.547 ' H ' HH21 ' A' ' 38' ' ' ARG . . . -102.08 34.16 5.93 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.563 1.165 . . . . 75.209999999999994 111.036 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.618 HD13 HD23 ' A' ' 32' ' ' LEU . 5.6 tp -40.55 -40.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 0.787 . . . . 70.129999999999995 109.276 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.562 ' CE1' ' CB ' ' A' ' 99' ' ' LYS . 12.2 m-85 -90.85 93.95 9.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 61.409999999999997 111.003 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.73 4.04 9.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.454 1.096 . . . . 44.229999999999997 110.936 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.547 HH21 ' H ' ' A' ' 34' ' ' GLY . 8.6 ptp180 -105.49 165.62 11.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 0.774 . . . . 74.140000000000001 110.318 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.859 ' N ' ' HZ2' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -96.18 -177.66 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 65.409999999999997 109.272 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.406 HG21 HG13 ' A' ' 57' ' ' ILE . 4.6 p -91.09 110.06 21.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 75.439999999999998 110.367 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.07 42.51 4.65 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 62.5 111.017 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 44' ' ' PRO . 26.4 mm-40 -94.76 -32.37 13.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 0.776 . . . . 74.219999999999999 110.294 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.51 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -39.39 99.8 0.2 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 70.230000000000004 109.364 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.411 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -74.89 -14.54 21.38 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.509 1.794 . . . . 70.109999999999999 110.995 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -87.32 -7.39 76.52 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.522 1.138 . . . . 63.409999999999997 111.008 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -169.09 113.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 73.200000000000003 110.988 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.2 m -83.36 132.26 35.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 74.420000000000002 110.042 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.51 ' OH ' ' HB2' ' A' ' 43' ' ' ALA . 3.3 m-30 -85.42 178.58 7.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 74.5 110.973 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.8 p -60.92 179.16 0.19 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.494 1.121 . . . . 65.430000000000007 110.375 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.74 9.7 18.08 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.502 1.126 . . . . 65.450000000000003 109.327 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.64 -30.91 12.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.402 1.064 . . . . 73.129999999999995 109.282 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.668 ' OD1' HD13 ' A' ' 75' ' ' ILE . 0.6 OUTLIER -100.62 -40.37 7.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 72.120000000000005 109.281 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -60.17 -43.01 96.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 75.030000000000001 109.314 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 55' ' ' LYS . 51.7 p-10 -63.1 -15.35 56.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 64.310000000000002 109.307 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.449 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 19.9 tptt -73.56 150.53 41.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 71.129999999999995 109.343 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.61 75.54 0.32 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 74.099999999999994 110.97 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.626 ' C ' HD12 ' A' ' 57' ' ' ILE . 1.8 pp -144.75 149.57 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 74.010000000000005 109.239 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.444 HD13 ' HD3' ' A' ' 39' ' ' LYS . 1.9 mm -82.95 124.07 39.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 71.129999999999995 109.27 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.432 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 7.2 m95 -66.74 100.8 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.97 -1.122 . . . . 75.239999999999995 107.97 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -115.16 -158.91 12.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.568 1.167 . . . . 64.099999999999994 111.043 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.441 ' CG ' HG21 ' A' ' 95' ' ' ILE . 3.0 tt0 -89.47 -55.6 3.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 0.803 . . . . 64.129999999999995 110.333 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -54.95 -20.27 8.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 64.109999999999999 109.31 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 41.0 p -80.73 -55.44 4.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 73.219999999999999 110.378 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.408 ' O ' HD13 ' A' ' 68' ' ' LEU . 14.2 mt -54.81 -20.02 7.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 75.519999999999996 109.264 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.2 mmt -65.13 -64.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 75.319999999999993 111.025 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.57 -30.88 71.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 74.209999999999994 110.315 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.423 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 13.1 t80 -62.26 -59.6 4.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 73.530000000000001 110.968 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.672 ' CD2' HD12 ' A' ' 94' ' ' LEU . 8.4 mp -58.46 -28.46 65.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 71.439999999999998 109.303 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -66.23 -39.33 89.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 72.120000000000005 110.302 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -166.48 80.79 1.03 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 62.350000000000001 109.294 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.423 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.97 -2.75 12.95 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.469 1.773 . . . . 74.420000000000002 111.035 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -17.19 56.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 72.430000000000007 109.32 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.35 -36.09 8.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 55.5 109.256 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -62.67 -44.31 96.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 73.430000000000007 111.011 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.668 HD13 ' OD1' ' A' ' 52' ' ' ASN . 6.7 mt -141.52 87.01 10.57 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 71.040000000000006 109.335 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 128.83 11.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 75.430000000000007 111.003 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.16 25.96 20.21 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.551 1.157 . . . . 61.200000000000003 111.006 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 80' ' ' MET . 8.2 t -86.44 161.7 18.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 74.510000000000005 110.406 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -93.92 30.5 1.83 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 61.340000000000003 109.298 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.404 ' H ' HG23 ' A' ' 78' ' ' THR . 2.8 ttp -114.35 76.56 1.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.183 . . . . 75.049999999999997 111.048 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 81' ' ' ILE . 2.2 tp -52.43 115.54 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 73.129999999999995 109.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -170.66 161.43 7.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 64.530000000000001 110.981 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.1 m -110.1 -32.3 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 72.200000000000003 109.317 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.39 160.72 11.25 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.507 1.129 . . . . 44.210000000000001 111.053 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.4 mt -98.43 143.98 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.74 . . . . 73.430000000000007 109.257 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.412 ' N ' ' CD ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -97.86 -46.0 6.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 72.239999999999995 109.283 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -60.41 140.99 56.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 71.109999999999999 109.25 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -89.45 -51.61 5.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.586 1.178 . . . . 73.430000000000007 109.27 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -53.31 -36.62 61.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 73.439999999999998 110.287 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -60.8 -29.47 69.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 64.239999999999995 110.29 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 79.1 mtm-85 -86.81 -31.14 21.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 42.25 110.275 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.68 -16.1 62.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 62.140000000000001 109.301 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -105.86 -43.07 4.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 75.329999999999998 109.299 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.672 HD12 ' CD2' ' A' ' 68' ' ' LEU . 2.0 tm? -58.64 -30.64 67.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 64.129999999999995 109.308 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.441 HG21 ' CG ' ' A' ' 61' ' ' GLU . 34.3 mt -85.95 -42.02 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 73.239999999999995 109.287 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.97 -20.93 6.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 61.140000000000001 109.327 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.805 ' CD1' HG23 ' A' ' 3' ' ' VAL . 0.2 OUTLIER -92.78 -60.5 1.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 74.519999999999996 110.96 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.784 HD21 HG11 ' A' ' 20' ' ' VAL . 12.3 mt -49.62 -29.09 6.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 61.350000000000001 109.274 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.562 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 11.7 pttp -72.23 -35.95 69.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 74.099999999999994 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 97' ' ' TYR . 45.7 tttm -86.54 -15.39 40.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 72.109999999999999 109.256 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.663 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -89.17 -16.0 32.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 75.140000000000001 109.323 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 98' ' ' LEU . 64.3 p -119.76 36.9 4.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 73.129999999999995 110.396 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -128.11 -46.54 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 70.439999999999998 109.328 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 74.299999999999997 110.279 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.483 ' O ' ' HB1' ' A' ' 96' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.971 -0.852 . . . . 52.200000000000003 110.971 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -42.72 154.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 63.420000000000002 109.348 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.609 HG23 ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -116.2 -52.82 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.589 1.181 . . . . 75.340000000000003 109.312 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -38.01 -56.87 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 73.120000000000005 110.251 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -46.93 -46.58 21.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 75.510000000000005 109.264 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -73.02 -23.85 77.04 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 72.040000000000006 111.035 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.563 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 16.0 tttm -71.3 -24.03 62.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 74.430000000000007 109.299 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -88.6 -39.84 13.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 60.43 109.306 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.862 HG23 ' HE2' ' A' ' 13' ' ' LYS . 38.3 mt -73.49 -29.4 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.591 1.182 . . . . 74.319999999999993 109.314 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.446 ' CZ ' ' CG1' ' A' ' 20' ' ' VAL . 12.2 t80 -68.04 -21.94 64.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.416 1.073 . . . . 72.239999999999995 110.981 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.596 HG23 ' HB2' ' A' ' 15' ' ' SER . 90.0 mt -85.71 -63.3 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 74.439999999999998 109.299 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -52.3 -20.1 2.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 65.420000000000002 110.972 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.862 ' HE2' HG23 ' A' ' 9' ' ' ILE . 30.7 mttm -107.04 -43.0 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 64.409999999999997 109.277 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -126.34 75.89 1.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 32.539999999999999 108.357 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.596 ' HB2' HG23 ' A' ' 11' ' ' ILE . 1.7 t -116.0 151.88 34.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 63.310000000000002 110.052 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 45.45 33.3 1.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 65.25 110.289 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.4 m -139.24 -59.28 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 75.409999999999997 108.29 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.615 ' ND1' HD11 ' A' ' 32' ' ' LEU . 75.4 m-70 -102.51 129.56 49.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.147 . . . . 64.329999999999998 109.554 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.498 ' O ' HG22 ' A' ' 20' ' ' VAL . 15.0 p -91.55 -29.6 16.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 63.549999999999997 110.412 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.894 HG12 HD13 ' A' ' 32' ' ' LEU . 35.9 m 46.43 29.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.41 1.069 . . . . 62.119999999999997 109.272 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 55.240000000000002 110.302 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.282 -0.636 . . . . 63.340000000000003 109.282 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -98.95 77.67 2.22 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.483 1.114 . . . . 74.519999999999996 109.622 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -64.96 -167.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 74.230000000000004 109.231 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 p -38.4 -34.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 61.25 110.399 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -115.53 155.79 16.07 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.519 1.137 . . . . 73.329999999999998 111.042 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.87 154.0 42.86 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.451 1.763 . . . . 64.109999999999999 111.057 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -75.53 161.36 29.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 54.229999999999997 109.279 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.894 HD13 HG12 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -132.68 103.0 5.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 74.540000000000006 109.332 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -114.12 -55.75 2.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 64.430000000000007 109.626 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.03 30.67 9.91 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.518 1.136 . . . . 75.209999999999994 110.991 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.764 ' HB3' HG21 ' A' ' 102' ' ' THR . 17.4 tp -42.0 -75.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.777 . . . . 70.129999999999995 109.318 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.61 ' CD2' ' NZ ' ' A' ' 99' ' ' LYS . 77.5 m-85 -64.53 114.22 4.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 61.409999999999997 110.959 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.62 29.06 7.58 Favored Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.512 1.133 . . . . 44.229999999999997 110.99 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -146.47 153.75 40.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 74.140000000000001 110.335 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -81.73 174.11 11.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 65.409999999999997 109.237 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 45.6 p -84.93 148.5 26.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 75.439999999999998 110.392 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.563 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 62.68 45.5 95.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.123 . . . . 62.5 110.986 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 43' ' ' ALA . 64.8 mm-40 -97.22 -35.14 10.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 0.786 . . . . 74.219999999999999 110.313 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.59 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -39.51 99.94 0.2 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 70.230000000000004 109.33 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.0 Cg_endo -75.08 -1.19 10.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 70.109999999999999 110.96 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.04 -24.11 12.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 63.409999999999997 111.058 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -154.6 112.13 3.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.559 0.799 . . . . 73.200000000000003 110.976 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.4 p -76.35 140.77 41.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 74.420000000000002 109.966 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.59 ' OH ' ' HB2' ' A' ' 43' ' ' ALA . 3.2 m-30 -91.36 -177.12 4.75 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.569 1.168 . . . . 74.5 111.007 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.565 HG23 ' HE2' ' A' ' 79' ' ' LYS . 5.7 p -53.73 174.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 65.430000000000007 110.376 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.29 -16.14 56.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 65.450000000000003 109.319 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.28 -58.94 2.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 73.129999999999995 109.318 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -38.13 75.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 72.120000000000005 109.265 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -66.02 -31.84 72.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 75.030000000000001 109.332 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.537 ' N ' HD22 ' A' ' 54' ' ' ASN . 1.2 m-80 -90.61 16.06 9.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 64.310000000000002 109.2 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 57' ' ' ILE . 9.4 tptp -102.66 48.65 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 71.129999999999995 109.296 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.73 85.39 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.46 1.1 . . . . 74.099999999999994 111.031 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 55' ' ' LYS . 2.2 pp -150.39 138.1 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 74.010000000000005 109.294 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.485 ' O ' HG21 ' A' ' 63' ' ' THR . 6.9 mm -70.99 135.64 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 71.129999999999995 109.357 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -76.54 164.28 26.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 75.239999999999995 107.971 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.53 ' C ' HD12 ' A' ' 64' ' ' LEU . . . 170.31 175.72 39.32 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.466 1.104 . . . . 64.099999999999994 110.994 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.467 ' HG3' ' CE ' ' A' ' 99' ' ' LYS . 42.3 mt-10 -60.48 -31.67 70.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 0.791 . . . . 64.129999999999995 110.308 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -73.05 -64.45 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 64.109999999999999 109.207 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.485 HG21 ' O ' ' A' ' 58' ' ' ILE . 49.7 p -54.1 -29.33 44.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 73.219999999999999 110.372 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.53 HD12 ' C ' ' A' ' 60' ' ' GLY . 18.8 mt -75.49 -47.36 27.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.589 1.18 . . . . 75.519999999999996 109.271 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.9 mmt -45.1 -58.67 3.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 75.319999999999993 110.932 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 69' ' ' GLU . 0.5 OUTLIER -66.87 -59.62 3.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 74.209999999999994 110.275 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.438 ' CB ' ' O ' ' A' ' 63' ' ' THR . 55.9 t80 -41.05 -31.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 73.530000000000001 110.982 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.417 ' CD1' HD11 ' A' ' 95' ' ' ILE . 11.9 mt -79.73 -46.88 16.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.112 . . . . 71.439999999999998 109.283 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 66' ' ' GLU . 33.6 tt0 -49.6 -29.11 6.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 72.120000000000005 110.243 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -173.62 90.31 0.36 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 62.350000000000001 109.262 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 -4.9 16.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.496 1.788 . . . . 74.420000000000002 111.001 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -89.69 -18.58 26.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 72.430000000000007 109.318 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.453 ' N ' ' CD ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -98.71 -24.38 15.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 55.5 109.282 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -82.99 -32.27 27.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 73.430000000000007 110.979 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.422 HG22 ' HB ' ' A' ' 78' ' ' THR . 3.1 mt -139.4 88.85 12.46 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 71.040000000000006 109.343 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 122.61 7.32 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.5 1.789 . . . . 75.430000000000007 111.021 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.84 30.97 8.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.597 1.186 . . . . 61.200000000000003 111.011 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.422 ' HB ' HG22 ' A' ' 75' ' ' ILE . 8.8 t -98.78 166.14 11.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 0.794 . . . . 74.510000000000005 110.36 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.565 ' HE2' HG23 ' A' ' 49' ' ' THR . 16.6 mttm -82.34 -18.69 41.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.593 1.183 . . . . 61.340000000000003 109.334 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.413 ' HB2' HG23 ' A' ' 78' ' ' THR . 63.3 mmm -48.29 106.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 75.049999999999997 111.025 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.547 ' O ' HG22 ' A' ' 81' ' ' ILE . 17.5 mt -105.49 90.38 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 73.129999999999995 109.314 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.403 ' CZ ' ' O ' ' A' ' 83' ' ' VAL . 43.3 t80 -174.59 147.55 1.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 64.530000000000001 110.989 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.403 ' O ' ' CZ ' ' A' ' 82' ' ' PHE . 27.2 m -93.86 136.51 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 72.200000000000003 109.303 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -45.0 159.0 0.17 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 44.210000000000001 110.931 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.6 mt -87.64 156.29 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 0.752 . . . . 73.430000000000007 109.292 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -96.44 -48.18 5.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 72.239999999999995 109.295 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -67.6 146.16 54.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 71.109999999999999 109.245 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -89.81 -38.79 13.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 73.430000000000007 109.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 92' ' ' ALA . 32.1 tt0 -64.68 -47.23 79.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 73.439999999999998 110.291 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.458 ' CG ' HD13 ' A' ' 9' ' ' ILE . 13.1 tt0 -49.06 -27.31 3.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 64.239999999999995 110.331 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -85.18 -30.36 23.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 42.25 110.26 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 89' ' ' GLU . . . -67.35 -42.61 83.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 62.140000000000001 109.27 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -71.4 -54.54 10.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 75.329999999999998 109.312 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.4 ' CD1' ' HB2' ' A' ' 10' ' ' PHE . 48.0 tp -46.06 -44.77 15.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 64.129999999999995 109.289 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.417 HD11 ' CD1' ' A' ' 68' ' ' LEU . 73.6 mt -69.74 -51.69 38.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 73.239999999999995 109.256 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.483 ' HB1' ' O ' ' A' ' 1' ' ' GLY . . . -40.58 -43.28 1.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 61.140000000000001 109.308 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.717 ' CE1' ' HB2' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -69.4 -64.36 0.89 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.487 1.117 . . . . 74.519999999999996 111.058 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.564 ' O ' HG23 ' A' ' 102' ' ' THR . 12.1 mt -40.58 -29.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 61.350000000000001 109.246 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.61 ' NZ ' ' CD2' ' A' ' 36' ' ' PHE . 33.9 mttm -65.96 -54.34 27.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 74.099999999999994 109.331 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 97' ' ' TYR . 32.7 tttt -72.22 -15.32 61.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 72.109999999999999 109.294 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.717 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -73.98 -57.12 4.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 75.140000000000001 109.356 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.764 HG21 ' HB3' ' A' ' 35' ' ' LEU . 28.3 p -77.83 0.64 23.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 73.129999999999995 110.413 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -75.68 -31.07 59.59 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 70.439999999999998 109.255 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.401 1.063 . . . . 74.299999999999997 110.33 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.109 -0.797 . . . . 52.200000000000003 111.109 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.409 ' CB ' ' HE2' ' A' ' 5' ' ' LYS . 1.0 OUTLIER -56.86 165.21 1.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.759 . . . . 63.420000000000002 109.299 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.885 HG12 ' HA ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -117.26 -52.94 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 75.340000000000003 109.24 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -41.82 -50.02 4.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 73.120000000000005 110.215 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.409 ' HE2' ' CB ' ' A' ' 2' ' ' ASP . 1.1 mppt? -53.51 -41.65 66.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.587 1.18 . . . . 75.510000000000005 109.283 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -81.74 -16.87 71.87 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.594 1.184 . . . . 72.040000000000006 111.021 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.559 ' CD ' ' CZ ' ' A' ' 97' ' ' TYR . 10.5 tptm -76.05 -47.18 25.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 0.782 . . . . 74.430000000000007 109.231 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -65.13 -37.46 87.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 60.43 109.282 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.454 ' CG2' ' HD2' ' A' ' 13' ' ' LYS . 71.9 mt -66.14 -49.75 73.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 74.319999999999993 109.31 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.515 ' CD1' HD21 ' A' ' 98' ' ' LEU . 52.1 t80 -60.14 -39.76 87.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 72.239999999999995 111.006 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.432 ' CD1' ' HG3' ' A' ' 7' ' ' LYS . 75.5 mt -73.76 -10.48 13.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.581 1.176 . . . . 74.439999999999998 109.249 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.4 mtt -113.41 -4.61 13.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 65.420000000000002 110.933 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.454 ' HD2' ' CG2' ' A' ' 9' ' ' ILE . 36.5 mttm -123.7 -56.36 1.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 64.409999999999997 109.305 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -121.05 77.03 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 32.539999999999999 108.258 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.403 ' OG ' ' HA ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -124.26 6.85 8.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 63.310000000000002 109.98 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -116.82 -35.77 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 65.25 110.289 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.503 ' SG ' HG21 ' A' ' 28' ' ' THR . 89.0 m -95.74 -81.68 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 75.409999999999997 108.275 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.616 ' HB3' HD13 ' A' ' 32' ' ' LEU . 96.7 m-70 -64.66 143.08 58.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 64.329999999999998 109.608 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.703 ' O ' HG22 ' A' ' 20' ' ' VAL . 41.7 p -115.62 -33.57 5.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 63.549999999999997 110.457 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.911 HG11 ' CD2' ' A' ' 98' ' ' LEU . 6.4 m 49.51 28.27 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 62.119999999999997 109.348 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.073 . . . . 55.240000000000002 110.337 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.303 -0.629 . . . . 63.340000000000003 109.303 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.5 ' CD2' ' HB2' ' A' ' 31' ' ' ASN . 4.1 m170 -84.94 128.86 34.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 74.519999999999996 109.551 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.8 mtmm -131.31 -97.05 0.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 74.230000000000004 109.334 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.503 HG21 ' SG ' ' A' ' 17' ' ' CYS . 5.7 m -69.97 -33.43 72.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 61.25 110.419 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.01 -170.57 12.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.419 1.074 . . . . 73.329999999999998 111.029 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 150.04 37.76 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.55 1.816 . . . . 64.109999999999999 111.078 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.5 ' HB2' ' CD2' ' A' ' 26' ' ' HIS . 12.2 t-20 -79.6 118.3 21.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 54.229999999999997 109.243 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.893 HD22 HD22 ' A' ' 98' ' ' LEU . 2.4 mp -65.83 75.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 74.540000000000006 109.278 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' ASN . 79.1 t60 -110.03 -68.21 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 64.430000000000007 109.577 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.09 25.47 27.7 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.535 1.147 . . . . 75.209999999999994 110.981 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.659 ' HB3' HG21 ' A' ' 102' ' ' THR . 7.5 tp -40.48 -75.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 0.743 . . . . 70.129999999999995 109.28 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.591 ' CD1' ' HA ' ' A' ' 99' ' ' LYS . 14.0 m-85 -64.71 156.7 29.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.45 1.094 . . . . 61.409999999999997 110.973 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.04 0.72 66.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.483 1.114 . . . . 44.229999999999997 110.957 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.9 ttm-85 -123.79 162.31 23.46 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 0.784 . . . . 74.140000000000001 110.292 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.475 ' CD ' HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -84.44 178.59 7.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 65.409999999999997 109.292 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.1 p -84.45 117.05 23.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 75.439999999999998 110.415 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.539 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 81.56 54.72 3.4 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.119 . . . . 62.5 110.946 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 43' ' ' ALA . 78.9 mm-40 -109.17 -32.21 7.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 74.219999999999999 110.355 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.509 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -39.63 99.97 0.21 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 70.230000000000004 109.276 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.401 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.0 Cg_endo -75.02 -1.04 10.71 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.506 1.793 . . . . 70.109999999999999 110.994 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.84 -40.35 3.6 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 63.409999999999997 111.009 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.582 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 11.9 t80 -129.5 85.27 2.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 0.764 . . . . 73.200000000000003 110.995 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.5 m -60.87 123.11 16.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 74.420000000000002 110.06 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 46' ' ' TYR . 2.2 m-30 -79.76 -174.65 4.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 74.5 110.976 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.4 p -67.73 -175.48 0.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 65.430000000000007 110.405 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.77 13.63 17.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 65.450000000000003 109.297 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.54 -56.52 2.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 73.129999999999995 109.272 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.495 ' OD1' ' CD1' ' A' ' 75' ' ' ILE . 1.0 OUTLIER -79.77 -29.67 40.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 72.120000000000005 109.339 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -68.89 -16.47 63.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 75.030000000000001 109.391 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -75.23 -43.49 51.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 64.310000000000002 109.301 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -49.95 158.62 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 71.129999999999995 109.29 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.63 14.47 2.45 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 74.099999999999994 110.986 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.504 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.0 pp -92.86 164.87 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.743 . . . . 74.010000000000005 109.319 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.475 HD11 ' CD ' ' A' ' 39' ' ' LYS . 3.1 mm -91.0 144.46 9.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 71.129999999999995 109.327 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.411 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 7.3 m95 -79.55 116.75 19.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.605 1.19 . . . . 75.239999999999995 108.004 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.516 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -132.02 -175.88 14.18 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.598 1.187 . . . . 64.099999999999994 110.928 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -72.66 -26.15 61.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 0.775 . . . . 64.129999999999995 110.253 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -71.94 -69.16 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 64.109999999999999 109.229 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.459 HG21 HD13 ' A' ' 57' ' ' ILE . 66.4 p -45.35 -43.3 10.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 73.219999999999999 110.329 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.516 HD12 ' O ' ' A' ' 60' ' ' GLY . 42.7 mt -65.09 -55.1 20.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 75.519999999999996 109.271 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 31.9 tpp -46.88 -28.12 1.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 75.319999999999993 111.02 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -95.51 -23.72 16.97 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 74.209999999999994 110.289 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.601 ' CE1' ' CB ' ' A' ' 71' ' ' PRO . 18.0 t80 -73.33 -56.08 5.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 73.530000000000001 110.974 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -46.82 -40.55 13.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 71.439999999999998 109.35 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -53.78 -46.41 71.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 72.120000000000005 110.331 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -161.07 79.47 2.23 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 62.350000000000001 109.259 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.601 ' CB ' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.97 0.27 9.09 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.551 1.816 . . . . 74.420000000000002 111.054 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -86.14 -20.43 28.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 72.430000000000007 109.273 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.2 pttp -95.36 -42.99 8.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 55.5 109.296 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -49.78 -42.79 47.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 73.430000000000007 111.041 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.495 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 8.6 mt -137.13 89.68 16.32 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.633 1.208 . . . . 71.040000000000006 109.264 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.04 3.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.522 1.801 . . . . 75.430000000000007 110.969 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.58 7.87 13.15 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 61.200000000000003 111.02 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.4 t -75.88 164.73 25.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 0.805 . . . . 74.510000000000005 110.426 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -88.05 -15.77 35.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 61.340000000000003 109.302 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.414 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 1.3 tpt -43.67 140.38 1.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 75.049999999999997 111.001 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.414 ' N ' ' HG3' ' A' ' 80' ' ' MET . 12.3 mm -125.09 107.22 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 73.129999999999995 109.367 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -170.84 176.06 4.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 64.530000000000001 110.955 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.538 HG23 ' N ' ' A' ' 84' ' ' GLY . 23.7 m -116.27 -53.49 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.447 1.092 . . . . 72.200000000000003 109.322 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.538 ' N ' HG23 ' A' ' 83' ' ' VAL . . . 136.32 155.22 7.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.11 . . . . 44.210000000000001 110.993 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.425 ' O ' ' NH1' ' A' ' 91' ' ' ARG . 18.5 mt -98.55 151.69 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 73.430000000000007 109.327 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -92.36 -68.12 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 72.239999999999995 109.267 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.441 ' O ' ' NH1' ' A' ' 91' ' ' ARG . 34.4 mtpt -45.85 150.12 0.57 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 71.109999999999999 109.302 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -87.69 -56.23 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 73.430000000000007 109.275 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -56.83 -36.38 69.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 73.439999999999998 110.346 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.448 ' HG2' HD13 ' A' ' 9' ' ' ILE . 18.0 tt0 -55.24 -18.61 6.39 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.522 1.139 . . . . 64.239999999999995 110.365 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.464 ' O ' ' CG1' ' A' ' 95' ' ' ILE . 77.0 mtm-85 -98.75 -31.23 11.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 42.25 110.252 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -67.76 -17.94 64.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 62.140000000000001 109.288 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -91.05 -53.84 4.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 75.329999999999998 109.271 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 10' ' ' PHE . 19.0 tp -61.2 -30.5 70.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 64.129999999999995 109.379 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.464 ' CG1' ' O ' ' A' ' 91' ' ' ARG . 61.7 mt -83.43 -13.59 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 73.239999999999995 109.317 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -86.63 -37.85 17.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 61.140000000000001 109.282 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.885 ' HA ' HG12 ' A' ' 3' ' ' VAL . 0.6 OUTLIER -81.41 -35.15 31.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 74.519999999999996 110.988 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.911 ' CD2' HG11 ' A' ' 20' ' ' VAL . 20.4 mt -72.42 -33.97 67.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.415 1.072 . . . . 61.350000000000001 109.316 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.591 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 14.0 pttp -76.17 -32.95 59.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 74.099999999999994 109.216 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.8 ttpp -86.63 -23.39 25.7 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.476 1.11 . . . . 72.109999999999999 109.234 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.564 ' HB2' ' O ' ' A' ' 97' ' ' TYR . . . -69.89 -28.26 65.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 75.140000000000001 109.278 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.659 HG21 ' HB3' ' A' ' 35' ' ' LEU . 35.2 p -104.24 13.66 31.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 73.129999999999995 110.362 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -104.84 -47.28 4.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 70.439999999999998 109.262 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 74.299999999999997 110.3 -179.954 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.012 -0.835 . . . . 52.200000000000003 111.012 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -75.5 -179.41 4.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 0.73 . . . . 63.420000000000002 109.276 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.709 HG23 ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -110.34 -50.78 6.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.541 1.151 . . . . 75.340000000000003 109.214 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -47.56 -37.71 12.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 73.120000000000005 110.322 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.668 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.2 mptm? -64.74 -34.79 79.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 75.510000000000005 109.326 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -91.38 -11.32 61.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.456 1.098 . . . . 72.040000000000006 110.958 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.576 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 18.1 tttt -76.29 -22.09 55.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.413 0.714 . . . . 74.430000000000007 109.24 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -93.74 -22.3 18.8 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.554 1.158 . . . . 60.43 109.348 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.668 HD12 ' O ' ' A' ' 5' ' ' LYS . 13.9 mt -91.12 -16.78 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 74.319999999999993 109.298 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.69 ' CE1' HD21 ' A' ' 98' ' ' LEU . 19.7 t80 -84.6 -27.68 27.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 72.239999999999995 111.063 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 15' ' ' SER . 46.8 mt -83.93 -68.63 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 74.439999999999998 109.334 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' ILE . 40.7 mmm -37.81 -30.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 65.420000000000002 110.973 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.532 ' HZ3' HG12 ' A' ' 85' ' ' ILE . 10.2 mtpp -101.93 -61.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 64.409999999999997 109.292 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -100.03 66.76 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 32.539999999999999 108.259 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.5 t -105.6 144.69 32.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 63.310000000000002 109.969 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 15' ' ' SER . 82.8 mt-30 38.96 34.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 65.25 110.286 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.0 m -133.46 -69.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 75.409999999999997 108.305 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -98.33 112.03 24.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 64.329999999999998 109.597 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 p -87.58 162.84 16.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.419 1.075 . . . . 63.549999999999997 110.434 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.501 ' CG1' ' CZ ' ' A' ' 10' ' ' PHE . 1.5 m -136.16 15.83 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 62.119999999999997 109.27 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 55.240000000000002 110.296 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.4 pttt . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.292 -0.633 . . . . 63.340000000000003 109.292 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.45 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 80.7 m-70 -72.72 121.37 19.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 74.519999999999996 109.563 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -100.93 -100.02 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 74.230000000000004 109.308 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.0 m -85.89 -14.45 44.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 61.25 110.415 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -159.53 -167.83 20.71 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.465 1.103 . . . . 73.329999999999998 110.934 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 148.72 35.85 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 64.109999999999999 111.02 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -84.04 129.32 34.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 54.229999999999997 109.303 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.759 ' O ' HG22 ' A' ' 102' ' ' THR . 0.5 OUTLIER -89.03 81.73 6.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.403 1.064 . . . . 74.540000000000006 109.303 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -105.45 -53.9 2.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 64.430000000000007 109.613 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' LEU . . . -102.03 32.44 7.53 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.55 1.156 . . . . 75.209999999999994 110.966 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.447 HD13 ' HG ' ' A' ' 32' ' ' LEU . 49.3 tp -40.46 -75.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.754 . . . . 70.129999999999995 109.345 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -60.29 109.53 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 61.409999999999997 110.985 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.23 38.3 4.08 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.459 1.1 . . . . 44.229999999999997 110.953 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.9 ttm-85 -146.88 134.32 20.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 74.140000000000001 110.276 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.462 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 14.2 mtmt -74.2 167.65 21.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 65.409999999999997 109.244 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.654 HG22 ' NE1' ' A' ' 59' ' ' TRP . 11.9 p -79.95 126.28 30.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.519 1.137 . . . . 75.439999999999998 110.353 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.462 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 78.75 39.94 19.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.478 1.111 . . . . 62.5 111.003 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 43' ' ' ALA . 46.9 mm-40 -104.24 -21.11 13.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 74.219999999999999 110.238 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.637 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -39.5 99.84 0.2 Allowed Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 70.230000000000004 109.3 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -74.94 58.2 4.77 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.52 1.8 . . . . 70.109999999999999 110.996 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.17 -40.32 0.03 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.52 1.138 . . . . 63.409999999999997 110.971 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.45 ' HB2' ' CD2' ' A' ' 26' ' ' HIS . 6.7 t80 -129.48 121.61 27.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.783 . . . . 73.200000000000003 111.0 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.8 m -88.28 140.29 29.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 74.420000000000002 109.994 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.637 ' OH ' ' HB2' ' A' ' 43' ' ' ALA . 2.6 m-30 -95.85 -171.62 2.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.08 . . . . 74.5 111.015 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.709 HG23 ' HE2' ' A' ' 79' ' ' LYS . 18.7 p -62.28 170.1 2.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 65.430000000000007 110.378 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.77 -15.14 59.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.605 1.191 . . . . 65.450000000000003 109.32 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.415 ' HA ' ' ND2' ' A' ' 54' ' ' ASN . . . -92.14 -15.8 27.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 73.129999999999995 109.318 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.4 -30.3 11.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 72.120000000000005 109.284 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -64.9 -63.06 1.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 1.101 . . . . 75.030000000000001 109.348 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.415 ' ND2' ' HA ' ' A' ' 51' ' ' ALA . 10.5 p30 -41.08 -31.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 64.310000000000002 109.327 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.419 ' HG2' HG21 ' A' ' 40' ' ' THR . 0.8 OUTLIER -40.63 116.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 71.129999999999995 109.295 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -120.45 75.57 0.32 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 74.099999999999994 110.993 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.415 ' CD1' ' OH ' ' A' ' 74' ' ' TYR . 4.5 pt -144.13 -179.73 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.408 0.711 . . . . 74.010000000000005 109.413 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.462 ' CD1' ' HG3' ' A' ' 39' ' ' LYS . 3.8 mm -127.74 118.25 48.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 71.129999999999995 109.254 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.654 ' NE1' HG22 ' A' ' 40' ' ' THR . 71.6 m95 -61.47 151.9 31.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 75.239999999999995 108.068 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.854 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -168.54 -152.74 7.84 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.51 1.132 . . . . 64.099999999999994 110.925 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.482 ' O ' ' CG ' ' A' ' 65' ' ' MET . 1.8 tt0 -86.9 -24.64 24.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 0.747 . . . . 64.129999999999995 110.278 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -91.49 -59.17 2.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 64.109999999999999 109.33 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.457 HG21 ' O ' ' A' ' 58' ' ' ILE . 63.7 p -47.66 -29.56 3.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 73.219999999999999 110.356 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.854 HD12 ' O ' ' A' ' 60' ' ' GLY . 59.8 mt -84.86 -37.11 21.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.107 . . . . 75.519999999999996 109.318 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.482 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 2.7 mmt -56.52 -16.67 6.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 75.319999999999993 111.009 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -104.99 -62.46 1.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 74.209999999999994 110.302 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 71' ' ' PRO . 33.4 t80 -39.12 -60.25 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 73.530000000000001 111.049 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.631 HD22 HH12 ' A' ' 91' ' ' ARG . 1.6 mp -60.03 -40.23 88.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 71.439999999999998 109.322 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -59.52 -29.33 67.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 72.120000000000005 110.317 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 179.54 88.93 0.18 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 62.350000000000001 109.276 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.99 -17.35 19.65 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.53 1.805 . . . . 74.420000000000002 110.98 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -63.45 -18.45 63.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 72.430000000000007 109.335 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -108.88 6.0 24.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 55.5 109.349 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.415 ' OH ' ' CD1' ' A' ' 57' ' ' ILE . 1.7 t80 -110.04 -63.03 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 73.430000000000007 110.994 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.7 mt -126.61 83.67 64.35 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 71.040000000000006 109.353 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 119.06 5.49 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.519 1.8 . . . . 75.430000000000007 110.932 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.63 -17.67 12.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 61.200000000000003 111.02 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.9 t -45.19 158.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 0.74 . . . . 74.510000000000005 110.399 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.709 ' HE2' HG23 ' A' ' 49' ' ' THR . 0.9 OUTLIER -107.74 39.11 2.0 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 61.340000000000003 109.263 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.0 ttt -110.21 102.87 11.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 75.049999999999997 110.956 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.9 mm -62.01 118.77 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 73.129999999999995 109.322 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.41 ' HZ ' ' HZ1' ' A' ' 13' ' ' LYS . 8.4 t80 -172.32 178.32 2.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 64.530000000000001 111.019 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.501 HG23 ' N ' ' A' ' 84' ' ' GLY . 34.0 m -130.24 -51.5 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 72.200000000000003 109.397 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.501 ' N ' HG23 ' A' ' 83' ' ' VAL . . . 136.04 174.81 13.51 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.474 1.109 . . . . 44.210000000000001 110.978 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.532 HG12 ' HZ3' ' A' ' 13' ' ' LYS . 6.1 mt -124.56 96.71 3.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.552 0.795 . . . . 73.430000000000007 109.246 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -67.59 -23.78 65.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 72.239999999999995 109.264 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.25 110.24 13.09 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.128 . . . . 71.109999999999999 109.301 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -67.06 -34.85 78.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.591 1.182 . . . . 73.430000000000007 109.215 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -58.38 -60.69 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 73.439999999999998 110.335 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -60.7 -21.96 63.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.176 . . . . 64.239999999999995 110.288 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 1.043 ' NH2' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -79.21 -33.34 43.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 42.25 110.268 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -87.36 -8.23 56.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 62.140000000000001 109.258 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.499 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 37.3 m-20 -95.8 -45.03 7.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 75.329999999999998 109.313 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.53 HD22 ' CD1' ' A' ' 98' ' ' LEU . 2.3 tt -54.69 -42.34 71.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 64.129999999999995 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 1.043 HD11 ' NH2' ' A' ' 91' ' ' ARG . 58.0 mt -61.41 -42.06 92.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 73.239999999999995 109.309 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -48.05 -50.53 27.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 61.140000000000001 109.297 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.709 ' CD1' HG23 ' A' ' 3' ' ' VAL . 1.9 t80 -70.92 -60.14 2.4 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.544 1.152 . . . . 74.519999999999996 111.018 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.704 ' O ' HG23 ' A' ' 102' ' ' THR . 15.4 mt -40.48 -35.26 0.43 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 61.350000000000001 109.257 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -62.68 -53.41 54.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 74.099999999999994 109.289 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 97' ' ' TYR . 8.3 ttmm -71.76 -14.59 62.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 72.109999999999999 109.236 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.554 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -86.15 -31.83 21.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 75.140000000000001 109.285 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.759 HG22 ' O ' ' A' ' 32' ' ' LEU . 24.6 p -113.07 29.37 8.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 73.129999999999995 110.41 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -116.61 -42.72 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 70.439999999999998 109.333 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 74.299999999999997 110.312 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.004 -0.838 . . . . 52.200000000000003 111.004 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -68.36 134.47 50.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.521 0.777 . . . . 63.420000000000002 109.259 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.0 OUTLIER -79.11 -38.85 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 75.340000000000003 109.298 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -51.46 -49.31 61.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 73.120000000000005 110.294 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.667 ' O ' HD12 ' A' ' 9' ' ' ILE . 31.4 mmtm -55.22 -23.93 24.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 75.510000000000005 109.328 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.403 ' O ' ' CB ' ' A' ' 10' ' ' PHE . . . -100.1 -17.68 24.3 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.486 1.116 . . . . 72.040000000000006 111.029 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.533 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 13.5 tptm -64.72 -54.93 23.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 0.786 . . . . 74.430000000000007 109.329 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.406 ' HA ' HD12 ' A' ' 11' ' ' ILE . 50.7 mmtt -59.1 -56.35 23.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 60.43 109.304 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.667 HD12 ' O ' ' A' ' 5' ' ' LYS . 59.7 mt -50.64 -44.25 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 74.319999999999993 109.335 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.811 ' CD1' HD21 ' A' ' 98' ' ' LEU . 18.6 t80 -63.45 -24.47 67.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 72.239999999999995 110.969 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.468 HG23 ' HB2' ' A' ' 15' ' ' SER . 34.8 mt -83.65 -67.24 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 74.439999999999998 109.324 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.3 ttp -45.27 -25.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 65.420000000000002 110.99 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.548 ' CD ' HG23 ' A' ' 9' ' ' ILE . 4.8 mtpm? -103.4 -36.79 7.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.405 1.066 . . . . 64.409999999999997 109.319 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -132.72 81.68 1.96 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 32.539999999999999 108.364 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.468 ' HB2' HG23 ' A' ' 11' ' ' ILE . 6.0 t -113.49 133.28 55.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 63.310000000000002 109.95 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.426 ' CG ' ' O ' ' A' ' 15' ' ' SER . 16.4 pt20 43.27 31.76 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 65.25 110.308 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.19 -47.23 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 75.409999999999997 108.281 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -109.29 136.9 47.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 64.329999999999998 109.601 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.3 p -109.0 147.5 32.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 63.549999999999997 110.335 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.2 m -133.18 13.97 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 62.119999999999997 109.25 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 55.240000000000002 110.262 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.318 -0.623 . . . . 63.340000000000003 109.318 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -99.37 134.68 41.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 74.519999999999996 109.592 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -126.83 -100.34 0.37 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 74.230000000000004 109.289 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.04 -22.18 23.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 61.25 110.423 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.9 157.47 25.35 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.483 1.114 . . . . 73.329999999999998 110.982 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 145.85 32.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.425 1.75 . . . . 64.109999999999999 111.021 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 33' ' ' HIS . 40.6 t-20 -72.79 124.82 26.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.403 1.064 . . . . 54.229999999999997 109.234 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.488 ' O ' ' CG2' ' A' ' 102' ' ' THR . 7.3 mp -95.97 43.15 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 74.540000000000006 109.331 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.449 ' N ' ' OD1' ' A' ' 31' ' ' ASN . 1.1 t-160 -69.98 -39.11 76.14 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.469 1.106 . . . . 64.430000000000007 109.62 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.499 ' HA3' HH21 ' A' ' 38' ' ' ARG . . . -102.21 24.67 30.34 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.538 1.149 . . . . 75.209999999999994 110.979 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.569 HD21 HD11 ' A' ' 64' ' ' LEU . 47.6 tp -40.54 -67.74 0.22 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.474 0.749 . . . . 70.129999999999995 109.299 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.56 ' CE2' ' HD2' ' A' ' 99' ' ' LYS . 43.6 m-85 -74.86 97.52 3.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 61.409999999999997 111.001 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.83 30.65 2.29 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.561 1.163 . . . . 44.229999999999997 110.978 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.499 HH21 ' HA3' ' A' ' 34' ' ' GLY . 53.4 ttm-85 -146.78 123.12 10.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 0.733 . . . . 74.140000000000001 110.266 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.664 ' HA ' HD13 ' A' ' 58' ' ' ILE . 7.4 tttt -64.33 170.99 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 65.409999999999997 109.315 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 57' ' ' ILE . 2.3 p -75.71 134.29 40.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 75.439999999999998 110.43 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.528 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 67.24 59.66 6.66 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 62.5 110.949 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 44' ' ' PRO . 37.7 mm-40 -113.69 -38.49 4.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 0.776 . . . . 74.219999999999999 110.329 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.446 ' CB ' ' OH ' ' A' ' 48' ' ' TYR . . . -39.56 99.94 0.2 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 70.230000000000004 109.263 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.411 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -75.02 -0.56 10.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.797 . . . . 70.109999999999999 110.978 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.68 -8.04 49.73 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.509 1.13 . . . . 63.409999999999997 111.018 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -166.05 120.77 1.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.748 . . . . 73.200000000000003 111.011 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.1 m -92.07 146.43 23.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 74.420000000000002 110.04 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.623 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -102.2 -175.17 2.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 74.5 110.997 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.702 HG23 ' HE2' ' A' ' 79' ' ' LYS . 3.1 p -67.96 152.72 45.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 65.430000000000007 110.465 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.76 -24.13 47.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.158 . . . . 65.450000000000003 109.31 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.92 -51.6 66.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 73.129999999999995 109.321 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -74.77 -56.93 4.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 72.120000000000005 109.329 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.7 tttm -40.77 -57.22 1.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 75.030000000000001 109.228 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -41.86 -43.0 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 64.310000000000002 109.301 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' ASN . 9.0 tptt -47.2 145.57 2.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 71.129999999999995 109.289 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.63 75.31 0.32 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.559 1.162 . . . . 74.099999999999994 110.917 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.473 ' O ' HG23 ' A' ' 40' ' ' THR . 2.7 pp -151.53 159.02 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.545 0.791 . . . . 74.010000000000005 109.319 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.664 HD13 ' HA ' ' A' ' 39' ' ' LYS . 7.1 mm -96.22 146.43 7.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 71.129999999999995 109.31 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -84.98 166.44 16.74 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.017 -1.105 . . . . 75.239999999999995 108.017 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.787 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -176.87 -154.97 12.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.519 1.137 . . . . 64.099999999999994 111.013 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -89.26 -23.77 22.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.465 0.744 . . . . 64.129999999999995 110.296 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -88.71 -60.03 2.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 64.109999999999999 109.338 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.4 p -48.0 -25.37 1.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 73.219999999999999 110.38 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.787 HD12 ' O ' ' A' ' 60' ' ' GLY . 36.9 mt -86.7 -39.06 16.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 75.519999999999996 109.308 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.8 mmt -56.13 -19.05 11.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 75.319999999999993 110.936 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -102.43 -34.3 9.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 74.209999999999994 110.292 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.619 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 13.7 t80 -69.79 -61.05 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 73.530000000000001 111.015 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mt -42.33 -41.54 2.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 71.439999999999998 109.353 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -54.89 -46.02 74.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 72.120000000000005 110.313 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 67' ' ' TYR . 1.1 p30 -156.31 76.19 4.58 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.606 1.191 . . . . 62.350000000000001 109.271 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.619 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.03 -4.44 15.4 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.565 1.824 . . . . 74.420000000000002 111.025 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.24 -21.65 23.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 72.430000000000007 109.261 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 74' ' ' TYR . 0.1 OUTLIER -92.84 -32.62 14.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 55.5 109.279 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.408 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 1.2 t80 -62.4 -43.54 98.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 73.430000000000007 110.926 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.7 mt -139.13 90.17 12.06 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.152 . . . . 71.040000000000006 109.254 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 138.07 22.47 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.51 1.795 . . . . 75.430000000000007 111.048 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.76 11.29 71.1 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 61.200000000000003 111.015 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.9 t -70.98 169.47 14.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 74.510000000000005 110.391 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.702 ' HE2' HG23 ' A' ' 49' ' ' THR . 24.5 mttm -75.82 -28.9 58.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 61.340000000000003 109.311 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.2 tpp -43.06 133.23 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 75.049999999999997 110.976 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 27.2 mt -106.27 -28.44 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 73.129999999999995 109.348 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.558 ' CZ ' ' O ' ' A' ' 83' ' ' VAL . 51.3 t80 -59.53 166.92 2.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 64.530000000000001 111.052 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.558 ' O ' ' CZ ' ' A' ' 82' ' ' PHE . 26.1 m -120.15 139.55 47.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.573 1.171 . . . . 72.200000000000003 109.343 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -39.03 155.72 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.435 1.084 . . . . 44.210000000000001 110.997 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.508 HG22 ' N ' ' A' ' 86' ' ' LYS . 77.3 mt -82.41 165.83 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 73.430000000000007 109.286 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.508 ' N ' HG22 ' A' ' 85' ' ' ILE . 9.2 ptmt -109.17 -37.91 5.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 72.239999999999995 109.346 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -93.65 144.75 25.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 71.109999999999999 109.26 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.1 ptmm? -89.97 -38.34 13.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 73.430000000000007 109.346 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -57.35 -24.24 53.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 73.439999999999998 110.256 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -84.09 -23.16 30.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 64.239999999999995 110.304 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -73.28 -37.2 66.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 42.25 110.284 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 96' ' ' ALA . . . -70.33 -50.54 38.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.447 1.092 . . . . 62.140000000000001 109.342 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.514 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 7.0 m-20 -55.42 -49.58 72.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 75.329999999999998 109.376 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.551 HD12 HG22 ' A' ' 9' ' ' ILE . 2.1 tt -62.4 -42.65 99.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.393 1.058 . . . . 64.129999999999995 109.278 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 57.7 mt -71.39 -15.35 18.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.548 1.155 . . . . 73.239999999999995 109.339 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -76.88 -27.88 55.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 61.140000000000001 109.303 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.551 ' CE1' ' HB2' ' A' ' 101' ' ' ALA . 3.6 t80 -96.84 -31.1 12.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.068 . . . . 74.519999999999996 111.007 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.811 HD21 ' CD1' ' A' ' 10' ' ' PHE . 16.0 mt -68.07 -11.84 59.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 61.350000000000001 109.307 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.56 ' HD2' ' CE2' ' A' ' 36' ' ' PHE . 3.6 tptm -98.31 -55.44 2.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 74.099999999999994 109.246 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.32 -37.59 72.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 72.109999999999999 109.278 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.551 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -69.44 -44.18 71.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 75.140000000000001 109.299 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 32' ' ' LEU . 10.9 p -98.22 41.74 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 73.129999999999995 110.443 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -126.83 -52.97 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 70.439999999999998 109.293 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 74.299999999999997 110.284 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.023 -0.831 . . . . 52.200000000000003 111.023 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -73.85 -179.65 3.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 63.420000000000002 109.264 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.781 HG23 ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -115.82 -52.45 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 75.340000000000003 109.291 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -47.47 -35.22 8.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 73.120000000000005 110.293 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.472 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -66.8 -35.93 81.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 75.510000000000005 109.265 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -90.88 -11.49 61.65 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.546 1.154 . . . . 72.040000000000006 111.057 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.569 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 25.7 tttt -72.27 -21.67 61.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 74.430000000000007 109.26 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -86.33 -43.68 12.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.564 1.165 . . . . 60.43 109.294 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.619 HD12 ' OD2' ' A' ' 93' ' ' ASP . 8.8 mt -67.94 -13.88 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 74.319999999999993 109.302 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.458 ' CD1' HD21 ' A' ' 98' ' ' LEU . 10.0 t80 -86.84 -25.13 24.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 72.239999999999995 110.976 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 13' ' ' LYS . 96.1 mt -82.79 -70.72 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 74.439999999999998 109.319 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.2 mmm -38.47 -30.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 65.420000000000002 110.975 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 11' ' ' ILE . 29.0 mttt -102.16 -65.69 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 64.409999999999997 109.284 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -94.82 61.47 2.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 32.539999999999999 108.327 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.1 p -67.77 -83.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 63.310000000000002 109.95 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -115.85 54.3 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 65.25 110.361 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.498 ' SG ' HG21 ' A' ' 28' ' ' THR . 1.2 m -127.36 -55.17 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 75.409999999999997 108.259 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.629 ' ND1' HD11 ' A' ' 32' ' ' LEU . 31.3 m-70 -104.54 158.36 16.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 64.329999999999998 109.608 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.9 p -130.65 163.61 26.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 63.549999999999997 110.34 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.487 HG23 ' N ' ' A' ' 21' ' ' GLU . 26.8 m -134.23 -52.58 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 62.119999999999997 109.28 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.487 ' N ' HG23 ' A' ' 20' ' ' VAL . 9.4 pt-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 55.240000000000002 110.326 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.475 ' CD ' ' O ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.286 -0.635 . . . . 63.340000000000003 109.286 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 6.7 m-70 -90.46 128.13 36.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 74.519999999999996 109.572 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.1 -77.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 74.230000000000004 109.312 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.498 HG21 ' SG ' ' A' ' 17' ' ' CYS . 5.9 m -101.29 -21.34 14.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 61.25 110.421 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -153.05 -168.68 17.29 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.422 1.076 . . . . 73.329999999999998 110.987 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.545 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -74.93 140.12 25.27 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.489 1.784 . . . . 64.109999999999999 110.981 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 32' ' ' LEU . 4.6 t-20 -73.6 149.57 41.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 54.229999999999997 109.336 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.923 ' O ' HG22 ' A' ' 102' ' ' THR . 2.8 mp -106.2 88.77 2.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.452 1.095 . . . . 74.540000000000006 109.364 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.502 ' CD2' ' O ' ' A' ' 104' ' ' GLU . 24.5 t-80 -113.59 -54.84 2.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.47 1.106 . . . . 64.430000000000007 109.645 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.659 ' HA3' HH21 ' A' ' 38' ' ' ARG . . . -102.12 24.75 30.14 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.411 1.069 . . . . 75.209999999999994 110.964 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.839 HD21 HD11 ' A' ' 64' ' ' LEU . 56.7 tp -40.52 -76.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 70.129999999999995 109.295 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.558 ' CD2' ' NZ ' ' A' ' 99' ' ' LYS . 52.1 m-85 -58.62 102.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 61.409999999999997 111.071 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.2 27.94 4.86 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 44.229999999999997 111.037 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.659 HH21 ' HA3' ' A' ' 34' ' ' GLY . 43.3 ttm-85 -146.87 149.55 33.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 0.738 . . . . 74.140000000000001 110.29 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.447 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 16.0 mtmt -88.11 -174.91 4.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 65.409999999999997 109.292 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 40.4 p -83.18 173.52 11.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 75.439999999999998 110.373 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.528 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 39.02 51.84 2.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.448 1.093 . . . . 62.5 110.987 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.43 ' CB ' ' HD3' ' A' ' 38' ' ' ARG . 90.9 mm-40 -104.59 -46.91 4.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 0.776 . . . . 74.219999999999999 110.319 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.606 ' HB3' ' OH ' ' A' ' 48' ' ' TYR . . . -39.76 100.04 0.21 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.147 . . . . 70.230000000000004 109.306 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.1 Cg_endo -74.99 0.23 9.16 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.602 1.843 . . . . 70.109999999999999 110.999 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.75 -14.12 38.27 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.456 1.098 . . . . 63.409999999999997 110.957 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.558 ' HB2' ' CD2' ' A' ' 26' ' ' HIS . 18.5 t80 -150.26 146.01 26.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.605 0.827 . . . . 73.200000000000003 110.997 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.6 m -113.18 139.54 48.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 74.420000000000002 109.981 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.606 ' OH ' ' HB3' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -100.81 -171.92 2.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 74.5 110.986 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.488 HG23 ' CD ' ' A' ' 79' ' ' LYS . 2.3 p -63.65 177.1 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 65.430000000000007 110.404 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -84.67 -14.45 48.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 65.450000000000003 109.263 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.28 -31.08 20.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 73.129999999999995 109.333 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -74.94 -59.17 2.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.125 . . . . 72.120000000000005 109.322 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' ASN . 4.8 tttm -49.95 -52.71 31.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.573 1.171 . . . . 75.030000000000001 109.324 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -40.59 -36.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 64.310000000000002 109.294 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -62.52 143.25 57.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 71.129999999999995 109.349 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.5 72.7 0.41 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.424 1.078 . . . . 74.099999999999994 111.01 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.538 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.1 pp -135.51 154.31 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.416 0.715 . . . . 74.010000000000005 109.293 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.447 ' CD1' ' HG3' ' A' ' 39' ' ' LYS . 3.4 mm -87.92 131.47 35.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 71.129999999999995 109.302 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -71.75 138.25 48.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.976 -1.12 . . . . 75.239999999999995 107.976 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.598 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -151.87 -151.67 5.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.538 1.149 . . . . 64.099999999999994 111.003 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 65' ' ' MET . 27.6 mt-10 -89.3 -39.61 13.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 0.726 . . . . 64.129999999999995 110.337 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -75.29 -51.15 13.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 64.109999999999999 109.275 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 p -57.23 -30.23 64.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 73.219999999999999 110.444 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.839 HD11 HD21 ' A' ' 35' ' ' LEU . 84.0 mt -89.06 -33.25 17.2 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.119 . . . . 75.519999999999996 109.285 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.474 ' CB ' ' O ' ' A' ' 61' ' ' GLU . 8.2 ttm -72.86 -15.36 61.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 75.319999999999993 111.019 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -107.94 -23.82 11.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 74.209999999999994 110.256 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 4.2 t80 -84.11 -42.19 16.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 73.530000000000001 111.016 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 68' ' ' LEU . 16.4 mt -59.41 -46.78 87.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 71.439999999999998 109.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 91' ' ' ARG . 14.4 tt0 -42.21 -30.37 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 72.120000000000005 110.266 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -173.18 92.61 0.37 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 62.350000000000001 109.24 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.566 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.96 -0.07 9.51 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.45 1.763 . . . . 74.420000000000002 111.006 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -93.27 -16.99 24.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.077 . . . . 72.430000000000007 109.309 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -93.68 -57.52 2.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 55.5 109.312 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -52.05 -26.54 11.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 73.430000000000007 110.975 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.6 mt -148.21 90.35 5.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 71.040000000000006 109.349 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 121.13 6.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.537 1.809 . . . . 75.430000000000007 111.011 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.87 -3.51 33.92 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.474 1.109 . . . . 61.200000000000003 110.966 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 t -49.03 177.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 0.746 . . . . 74.510000000000005 110.407 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.488 ' CD ' HG23 ' A' ' 49' ' ' THR . 0.0 OUTLIER -126.91 24.26 6.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.632 1.207 . . . . 61.340000000000003 109.324 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.9 ttt -99.18 112.14 24.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 75.049999999999997 110.964 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.0 mt -70.47 114.72 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 73.129999999999995 109.266 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -153.22 163.01 40.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 64.530000000000001 110.993 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.47 HG23 ' N ' ' A' ' 84' ' ' GLY . 16.0 m -114.01 -49.52 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 72.200000000000003 109.308 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.47 ' N ' HG23 ' A' ' 83' ' ' VAL . . . 137.77 169.01 11.5 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.468 1.105 . . . . 44.210000000000001 111.012 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.818 HG22 ' HB2' ' A' ' 87' ' ' LYS . 9.1 mt -129.78 -50.61 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 73.430000000000007 109.326 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? 55.62 20.83 4.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 72.239999999999995 109.29 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.818 ' HB2' HG22 ' A' ' 85' ' ' ILE . 1.6 mmmp? -110.28 153.57 24.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 71.109999999999999 109.264 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -90.38 -64.68 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 73.430000000000007 109.265 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 93' ' ' ASP . 2.4 mp0 -57.1 -53.39 58.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 73.439999999999998 110.281 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.56 ' HG3' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -48.54 -24.22 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 64.239999999999995 110.317 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.456 ' CZ ' ' HB2' ' A' ' 69' ' ' GLU . 39.3 mtm-85 -100.34 -23.76 14.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 42.25 110.301 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 89' ' ' GLU . . . -89.67 -4.06 57.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 62.140000000000001 109.255 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.619 ' OD2' HD12 ' A' ' 9' ' ' ILE . 1.2 p-10 -106.53 -26.93 11.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 75.329999999999998 109.246 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.443 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 2.6 tm? -78.15 -42.65 31.06 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.563 1.164 . . . . 64.129999999999995 109.345 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 65.9 mt -66.6 -38.71 82.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 73.239999999999995 109.311 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.77 -55.2 32.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 61.140000000000001 109.257 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.781 ' CD1' HG23 ' A' ' 3' ' ' VAL . 0.7 OUTLIER -61.33 -60.45 3.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 74.519999999999996 110.979 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.698 ' O ' HG23 ' A' ' 102' ' ' THR . 14.2 mt -40.65 -48.26 2.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 61.350000000000001 109.307 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.558 ' NZ ' ' CD2' ' A' ' 36' ' ' PHE . 3.2 tptt -48.09 -49.13 32.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 74.099999999999994 109.324 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 97' ' ' TYR . 9.4 ttmm -73.25 -25.04 60.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 72.109999999999999 109.329 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.579 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -77.3 -19.79 55.91 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.419 1.074 . . . . 75.140000000000001 109.305 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.923 HG22 ' O ' ' A' ' 32' ' ' LEU . 35.7 p -113.68 24.07 12.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 73.129999999999995 110.479 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -108.92 -16.3 14.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 70.439999999999998 109.269 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.502 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 16.7 mt-10 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.447 1.092 . . . . 74.299999999999997 110.306 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.015 -0.834 . . . . 52.200000000000003 111.015 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.62 -177.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 63.420000000000002 109.237 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 6' ' ' GLY . 0.2 OUTLIER -117.96 -50.86 4.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 75.340000000000003 109.324 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -50.96 -23.06 2.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 73.120000000000005 110.314 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -76.27 -35.57 58.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 75.510000000000005 109.326 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -94.28 -11.1 57.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.526 1.141 . . . . 72.040000000000006 111.016 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.565 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 12.9 tptm -72.76 -24.13 60.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 74.430000000000007 109.284 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.7 -43.73 15.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 60.43 109.328 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.7 mt -66.01 -11.37 12.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 74.319999999999993 109.291 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.556 ' CD1' ' HB2' ' A' ' 14' ' ' CYS . 3.9 t80 -87.02 -27.09 23.42 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.61 1.194 . . . . 72.239999999999995 111.007 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 15' ' ' SER . 20.1 mt -80.99 -68.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 74.439999999999998 109.339 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.3 mmt -40.88 -27.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 65.420000000000002 111.012 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.485 ' HD3' ' CE1' ' A' ' 82' ' ' PHE . 24.6 mttt -105.37 -71.8 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 64.409999999999997 109.297 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.556 ' HB2' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -86.87 50.61 2.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 32.539999999999999 108.3 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 11' ' ' ILE . 12.0 t -53.08 -82.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 63.310000000000002 110.042 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -120.36 58.18 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 65.25 110.261 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.636 ' CB ' ' HG1' ' A' ' 28' ' ' THR . 1.6 m -126.02 -46.59 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 75.409999999999997 108.311 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.456 ' CG ' HD12 ' A' ' 32' ' ' LEU . 88.2 m-70 -108.34 176.6 5.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 64.329999999999998 109.568 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.656 HG21 ' N ' ' A' ' 25' ' ' LYS . 2.2 p -118.76 -37.56 3.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 63.549999999999997 110.408 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.524 HG22 ' O ' ' A' ' 19' ' ' THR . 34.5 m 46.79 29.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 62.119999999999997 109.261 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.446 ' CG ' ' HB ' ' A' ' 19' ' ' THR . 1.6 pt-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 55.240000000000002 110.248 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.656 ' N ' HG21 ' A' ' 19' ' ' THR . 4.0 mmtm . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.274 -0.639 . . . . 63.340000000000003 109.274 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -120.22 115.58 23.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 74.519999999999996 109.645 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -119.61 -85.67 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 74.230000000000004 109.282 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.636 ' HG1' ' CB ' ' A' ' 17' ' ' CYS . 18.4 p -89.76 -44.19 10.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.394 1.058 . . . . 61.25 110.347 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -124.85 173.55 17.13 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 73.329999999999998 110.959 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.487 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 18.3 Cg_endo -74.96 142.19 27.69 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.517 1.798 . . . . 64.109999999999999 111.053 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 32' ' ' LEU . 4.3 t-20 -42.9 152.45 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 54.229999999999997 109.291 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.722 ' O ' HG22 ' A' ' 102' ' ' THR . 20.4 mt -125.68 76.95 1.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 74.540000000000006 109.318 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.433 ' N ' ' OD1' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -125.08 -43.64 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 64.430000000000007 109.59 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.408 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -101.2 31.73 8.31 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.5 1.125 . . . . 75.209999999999994 111.016 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.136 HD21 HD11 ' A' ' 64' ' ' LEU . 18.3 tp -57.59 -54.19 49.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.594 0.82 . . . . 70.129999999999995 109.315 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -76.3 122.99 25.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 61.409999999999997 111.077 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.15 43.48 8.69 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 44.229999999999997 111.006 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.408 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 28.5 ttp180 -152.99 163.98 38.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 0.742 . . . . 74.140000000000001 110.286 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.406 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 14.7 mtmt -97.96 -178.19 4.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 65.409999999999997 109.32 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 67.7 p -95.52 146.69 24.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 75.439999999999998 110.456 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.563 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 63.63 59.77 8.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.572 1.17 . . . . 62.5 111.01 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 43' ' ' ALA . 56.4 mm-40 -108.85 -50.03 3.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.596 0.821 . . . . 74.219999999999999 110.272 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.65 ' HB3' ' OH ' ' A' ' 48' ' ' TYR . . . -39.48 99.93 0.2 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 70.230000000000004 109.286 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -75.0 0.14 9.27 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.461 1.769 . . . . 70.109999999999999 110.958 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.29 -23.07 17.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 63.409999999999997 110.937 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.514 ' O ' ' CE1' ' A' ' 48' ' ' TYR . 8.4 t80 -139.78 115.28 9.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 0.757 . . . . 73.200000000000003 111.04 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.3 m -89.03 123.45 33.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 74.420000000000002 110.002 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.65 ' OH ' ' HB3' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -84.31 -170.49 3.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.575 1.172 . . . . 74.5 110.991 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.596 HG23 ' HZ2' ' A' ' 79' ' ' LYS . 2.7 p -72.8 168.95 17.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 65.430000000000007 110.451 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.69 -20.65 56.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 65.450000000000003 109.276 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.568 ' HB1' ' O ' ' A' ' 76' ' ' PRO . . . -70.54 -28.72 65.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 73.129999999999995 109.293 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -96.74 -54.04 3.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 72.120000000000005 109.269 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.0 tttp -43.71 -50.53 7.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 75.030000000000001 109.263 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -53.16 -40.2 64.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 64.310000000000002 109.31 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 52' ' ' ASN . 15.5 tptp -43.62 141.16 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 71.129999999999995 109.363 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.472 ' O ' HG23 ' A' ' 57' ' ' ILE . . . -142.62 81.97 0.23 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.415 1.072 . . . . 74.099999999999994 110.995 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.507 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.5 pp -155.3 156.9 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 74.010000000000005 109.285 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.0 mm -84.79 138.64 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.158 . . . . 71.129999999999995 109.254 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -78.85 166.79 22.03 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.982 -1.118 . . . . 75.239999999999995 107.982 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 164.49 159.68 11.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.095 . . . . 64.099999999999994 111.0 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.708 ' HB2' HG21 ' A' ' 95' ' ' ILE . 5.6 pt-20 -54.06 -32.72 55.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 0.788 . . . . 64.129999999999995 110.259 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.91 -39.91 83.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 64.109999999999999 109.326 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.6 p -81.14 -19.58 43.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 73.219999999999999 110.437 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.136 HD11 HD21 ' A' ' 35' ' ' LEU . 72.9 mt -79.65 -24.59 41.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.12 . . . . 75.519999999999996 109.28 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.8 tpt -63.08 -61.38 2.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.177 . . . . 75.319999999999993 111.014 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.98 -37.13 86.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 74.209999999999994 110.31 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.402 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 67.9 t80 -60.11 -65.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 73.530000000000001 110.99 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.5 mt -52.48 -28.84 21.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 71.439999999999998 109.353 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -70.05 -38.45 75.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 72.120000000000005 110.277 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -162.97 80.2 1.67 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 62.350000000000001 109.272 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.402 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -75.04 -1.62 11.47 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.499 1.789 . . . . 74.420000000000002 111.018 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.74 -15.91 52.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 72.430000000000007 109.299 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.08 -41.0 5.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 55.5 109.343 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -63.68 -37.8 88.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 73.430000000000007 111.036 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.485 HG22 ' HB ' ' A' ' 78' ' ' THR . 4.1 mm -133.28 85.89 43.02 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 71.040000000000006 109.339 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.568 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -75.01 106.56 2.3 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.597 1.84 . . . . 75.430000000000007 110.996 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.2 41.29 2.1 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.535 1.147 . . . . 61.200000000000003 111.007 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.485 ' HB ' HG22 ' A' ' 75' ' ' ILE . 10.1 t -95.61 160.5 14.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.776 . . . . 74.510000000000005 110.384 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.86 ' O ' HD12 ' A' ' 81' ' ' ILE . 16.3 mtmm -92.09 -17.16 25.38 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.454 1.096 . . . . 61.340000000000003 109.306 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 7.0 ttt -67.63 102.37 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 75.049999999999997 111.043 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.86 HD12 ' O ' ' A' ' 79' ' ' LYS . 2.4 mp -74.71 93.15 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.514 1.134 . . . . 73.129999999999995 109.33 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.485 ' CE1' ' HD3' ' A' ' 13' ' ' LYS . 11.2 t80 -128.97 130.07 46.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 64.530000000000001 110.981 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.1 m -76.51 -38.65 32.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 72.200000000000003 109.302 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.19 160.7 15.5 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.429 1.081 . . . . 44.210000000000001 111.064 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.627 HD12 ' HG2' ' A' ' 91' ' ' ARG . 2.2 mt -112.98 139.22 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 73.430000000000007 109.314 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.15 -30.53 11.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.107 . . . . 72.239999999999995 109.324 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.412 ' CB ' ' HB2' ' A' ' 90' ' ' GLU . 14.1 mmmt -71.73 135.28 46.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.17 . . . . 71.109999999999999 109.32 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -79.88 -40.83 27.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 73.430000000000007 109.313 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -69.54 -43.01 73.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 73.439999999999998 110.255 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.412 ' HB2' ' CB ' ' A' ' 87' ' ' LYS . 22.4 tt0 -49.94 -24.02 2.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 64.239999999999995 110.233 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.627 ' HG2' HD12 ' A' ' 85' ' ' ILE . 92.3 mtm-85 -97.22 -42.14 7.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 42.25 110.302 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.89 -34.49 54.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 62.140000000000001 109.333 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.766 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 3.8 t0 -74.42 -59.36 2.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 75.329999999999998 109.285 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 18.8 tp -43.19 -65.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 64.129999999999995 109.307 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.708 HG21 ' HB2' ' A' ' 61' ' ' GLU . 19.8 mt -40.99 -40.96 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 73.239999999999995 109.341 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.766 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -54.57 -59.2 5.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 61.140000000000001 109.299 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.629 ' CE1' ' HB2' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -60.66 -57.35 13.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 74.519999999999996 110.972 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.607 ' O ' HG23 ' A' ' 102' ' ' THR . 11.0 mt -51.38 -30.29 18.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.15 . . . . 61.350000000000001 109.327 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 61.4 tttp -71.27 -32.91 69.27 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.454 1.096 . . . . 74.099999999999994 109.312 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -89.39 -16.41 31.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 72.109999999999999 109.279 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.629 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -81.34 -45.48 16.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 75.140000000000001 109.256 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 32' ' ' LEU . 21.1 p -90.68 25.59 2.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 73.129999999999995 110.417 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -110.75 -29.23 8.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 70.439999999999998 109.326 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 74.299999999999997 110.326 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.993 -0.843 . . . . 52.200000000000003 110.993 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -64.38 133.08 51.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 0.785 . . . . 63.420000000000002 109.317 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 6' ' ' GLY . 1.1 m -78.44 -41.74 25.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.158 . . . . 75.340000000000003 109.279 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -45.16 -47.31 12.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 73.120000000000005 110.26 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.666 ' O ' HD12 ' A' ' 9' ' ' ILE . 13.6 mptt -57.0 -35.32 69.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 75.510000000000005 109.296 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.465 ' O ' ' CB ' ' A' ' 10' ' ' PHE . . . -88.08 -13.82 63.54 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.133 . . . . 72.040000000000006 111.023 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.573 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 16.0 ttpp -76.48 -41.26 47.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 0.779 . . . . 74.430000000000007 109.281 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.405 ' NZ ' ' HA ' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -85.19 -15.64 42.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 60.43 109.365 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.666 HD12 ' O ' ' A' ' 5' ' ' LYS . 93.2 mt -93.73 -24.66 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 74.319999999999993 109.301 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.467 ' CD1' HD21 ' A' ' 98' ' ' LEU . 7.8 t80 -73.31 -20.08 60.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 72.239999999999995 110.968 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.3 mt -83.63 -69.47 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 74.439999999999998 109.206 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -48.06 -25.9 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 65.420000000000002 111.002 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -98.0 -35.68 10.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 64.409999999999997 109.286 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -135.26 81.43 1.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 32.539999999999999 108.302 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.0 t -114.12 138.35 50.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 63.310000000000002 110.041 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 40.03 39.11 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 65.25 110.3 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -134.47 -49.7 0.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 75.409999999999997 108.259 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -115.61 162.15 17.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.406 1.066 . . . . 64.329999999999998 109.573 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.826 HG21 ' O ' ' A' ' 25' ' ' LYS . 39.5 p -130.39 158.37 40.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.172 . . . . 63.549999999999997 110.384 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 21' ' ' GLU . 3.8 m -132.43 -47.94 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 62.119999999999997 109.338 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.438 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 2.8 pt-20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 55.240000000000002 110.275 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.826 ' O ' HG21 ' A' ' 19' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.384 -0.599 . . . . 63.340000000000003 109.384 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.513 ' CD2' ' HB2' ' A' ' 31' ' ' ASN . 8.1 m170 -68.33 131.59 45.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 74.519999999999996 109.568 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -119.17 -101.35 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 74.230000000000004 109.253 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.6 m -69.39 -33.59 73.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 61.25 110.474 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.19 176.82 20.75 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.5 1.125 . . . . 73.329999999999998 110.94 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.474 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 18.6 Cg_endo -74.93 149.29 36.84 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.498 1.788 . . . . 64.109999999999999 110.968 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.513 ' HB2' ' CD2' ' A' ' 26' ' ' HIS . 9.2 t-20 -64.14 118.2 8.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 54.229999999999997 109.309 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.584 HD13 HD13 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -49.86 -26.34 3.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 74.540000000000006 109.336 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -41.32 -39.72 1.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 64.430000000000007 109.536 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.88 48.6 1.08 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.488 1.118 . . . . 75.209999999999994 110.969 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.728 HD21 ' CD1' ' A' ' 64' ' ' LEU . 16.6 tp -89.86 -74.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 0.74 . . . . 70.129999999999995 109.312 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -62.54 114.39 3.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 61.409999999999997 110.942 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.07 40.05 4.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 44.229999999999997 110.985 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.8 ttm-85 -149.14 119.61 7.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 0.781 . . . . 74.140000000000001 110.305 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -63.8 -175.11 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 65.409999999999997 109.336 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.4 p -84.62 122.19 28.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 75.439999999999998 110.39 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.541 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 72.72 57.34 5.45 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.508 1.13 . . . . 62.5 111.015 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 44' ' ' PRO . 65.8 mm-40 -110.67 -36.28 5.77 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 0.795 . . . . 74.219999999999999 110.331 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.54 99.89 0.2 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 70.230000000000004 109.351 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.5 Cg_endo -74.93 -1.51 11.3 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.469 1.773 . . . . 70.109999999999999 111.018 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.52 -10.58 35.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 63.409999999999997 111.029 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -154.94 138.08 15.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.774 . . . . 73.200000000000003 110.973 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.7 m -109.63 144.17 38.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.455 1.097 . . . . 74.420000000000002 110.033 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.603 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 0.7 OUTLIER -103.64 -173.92 2.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 74.5 110.978 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.0 p -66.28 179.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 65.430000000000007 110.393 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.7 11.24 20.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 65.450000000000003 109.359 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.64 -45.1 6.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 73.129999999999995 109.306 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -85.21 -46.8 10.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 72.120000000000005 109.308 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -45.35 -27.7 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 75.030000000000001 109.26 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -70.69 -47.42 59.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 64.310000000000002 109.289 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 52' ' ' ASN . 6.7 tptm -44.29 149.25 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 71.129999999999995 109.345 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.481 ' O ' HG23 ' A' ' 57' ' ' ILE . . . -142.58 78.58 0.27 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.421 1.076 . . . . 74.099999999999994 110.931 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.528 HD12 ' O ' ' A' ' 58' ' ' ILE . 2.6 pp -155.11 172.1 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 74.010000000000005 109.281 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.528 ' O ' HD12 ' A' ' 57' ' ' ILE . 3.6 mm -92.12 165.1 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 71.129999999999995 109.355 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.532 ' CE3' ' CD2' ' A' ' 64' ' ' LEU . 25.7 m95 -106.99 83.14 1.78 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.508 1.13 . . . . 75.239999999999995 108.016 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -95.17 -157.8 32.56 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.459 1.099 . . . . 64.099999999999994 110.984 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 65' ' ' MET . 1.7 mp0 -87.57 -48.4 7.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 0.751 . . . . 64.129999999999995 110.209 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -63.39 -36.65 84.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 64.109999999999999 109.298 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 48.2 p -64.0 -64.24 0.94 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 73.219999999999999 110.387 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.728 ' CD1' HD21 ' A' ' 35' ' ' LEU . 39.9 mt -56.05 -36.13 67.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 75.519999999999996 109.36 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.451 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 2.8 mmt -52.75 -19.56 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 75.319999999999993 111.027 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -105.51 -47.5 3.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 74.209999999999994 110.359 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.452 ' O ' ' N ' ' A' ' 71' ' ' PRO . 5.2 t80 -54.15 -60.88 2.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 73.530000000000001 111.022 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.761 HD13 HH12 ' A' ' 91' ' ' ARG . 4.7 mt -60.42 -23.58 64.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 71.439999999999998 109.287 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -75.74 -33.33 60.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 72.120000000000005 110.308 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -160.72 73.44 2.79 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.6 1.187 . . . . 62.350000000000001 109.3 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 67' ' ' TYR . 18.5 Cg_endo -74.97 -1.26 10.98 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 74.420000000000002 111.017 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -85.2 -17.09 38.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 72.430000000000007 109.232 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.87 -44.11 4.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 55.5 109.304 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -53.71 -51.86 61.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.165 . . . . 73.430000000000007 111.038 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.703 ' O ' HG22 ' A' ' 78' ' ' THR . 4.4 mt -137.31 88.26 17.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 71.040000000000006 109.301 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 127.26 10.56 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 75.430000000000007 111.011 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.03 -19.82 34.45 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.5 1.125 . . . . 61.200000000000003 110.982 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.703 HG22 ' O ' ' A' ' 75' ' ' ILE . 1.5 t -45.77 166.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.789 . . . . 74.510000000000005 110.421 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -88.7 -15.72 34.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 61.340000000000003 109.27 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 13.2 mmm -50.15 97.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 75.049999999999997 110.967 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.55 ' O ' HG22 ' A' ' 81' ' ' ILE . 22.0 mm -77.05 58.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 73.129999999999995 109.223 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.498 ' CZ ' HG13 ' A' ' 85' ' ' ILE . 1.5 t80 -107.06 153.08 23.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 64.530000000000001 110.989 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.2 m -99.76 -28.8 3.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.457 1.098 . . . . 72.200000000000003 109.327 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.72 128.41 5.56 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.575 1.172 . . . . 44.210000000000001 110.996 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.634 HG22 ' O ' ' A' ' 87' ' ' LYS . 65.2 mt -84.37 84.92 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 73.430000000000007 109.342 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -42.9 -54.58 4.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 72.239999999999995 109.338 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.634 ' O ' HG22 ' A' ' 85' ' ' ILE . 11.6 mmmt -62.74 137.01 58.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 71.109999999999999 109.278 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.46 -25.65 22.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.088 . . . . 73.430000000000007 109.28 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -58.88 -64.63 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 73.439999999999998 110.333 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.94 -20.71 17.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 64.239999999999995 110.274 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 1.068 ' NH2' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -76.94 -37.36 55.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 42.25 110.293 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 93' ' ' ASP . . . -71.56 -67.2 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 62.140000000000001 109.305 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.687 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 28.4 m-20 -40.25 -49.31 2.7 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.559 1.162 . . . . 75.329999999999998 109.326 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.861 HD11 HD12 ' A' ' 98' ' ' LEU . 1.9 tm? -44.51 -51.46 8.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 64.129999999999995 109.302 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 1.068 HD11 ' NH2' ' A' ' 91' ' ' ARG . 15.7 mt -64.21 -32.8 58.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 73.239999999999995 109.263 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -52.95 -32.49 46.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 61.140000000000001 109.272 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.573 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 7.3 t80 -95.17 -42.93 8.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 74.519999999999996 111.052 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.861 HD12 HD11 ' A' ' 94' ' ' LEU . 25.8 mt -66.51 -13.22 60.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 1.073 . . . . 61.350000000000001 109.284 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 95' ' ' ILE . 61.4 tttm -98.33 -20.24 17.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 74.099999999999994 109.274 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 37.3 tttp -100.89 -14.43 17.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 72.109999999999999 109.292 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -90.16 -28.06 19.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 75.140000000000001 109.301 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 98' ' ' LEU . 23.4 p -104.4 23.44 13.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 73.129999999999995 110.438 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -111.36 -16.99 13.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 70.439999999999998 109.279 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 74.299999999999997 110.292 -179.943 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.115 -0.794 . . . . 52.200000000000003 111.115 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -71.89 131.64 43.28 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.463 0.743 . . . . 63.420000000000002 109.24 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 6' ' ' GLY . 1.2 m -77.49 -42.43 30.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 75.340000000000003 109.276 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -46.29 -43.06 15.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.622 1.201 . . . . 73.120000000000005 110.275 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.64 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.9 mptp? -59.85 -35.17 74.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 75.510000000000005 109.25 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -92.79 -6.56 63.61 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.463 1.102 . . . . 72.040000000000006 111.047 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.566 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 8.0 tttm -78.73 -60.71 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.405 0.709 . . . . 74.430000000000007 109.313 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm -60.8 -31.43 70.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 60.43 109.341 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 5' ' ' LYS . 70.6 mt -72.57 -42.0 63.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 74.319999999999993 109.326 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.545 ' CD1' HD21 ' A' ' 98' ' ' LEU . 25.6 t80 -65.12 -17.74 64.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.594 1.184 . . . . 72.239999999999995 111.037 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.456 ' O ' ' CB ' ' A' ' 15' ' ' SER . 30.8 mt -85.32 -57.92 3.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.527 1.142 . . . . 74.439999999999998 109.33 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 58.4 mtp -63.63 -11.29 24.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 65.420000000000002 110.985 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.549 ' CE ' HG23 ' A' ' 9' ' ' ILE . 37.1 mttm -113.51 -36.7 4.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 64.409999999999997 109.278 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -132.23 79.17 1.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 32.539999999999999 108.261 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.3 p -117.42 145.93 43.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 63.310000000000002 110.02 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 41.78 33.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 65.25 110.292 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -133.06 -71.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 75.409999999999997 108.279 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -96.55 140.6 30.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 64.329999999999998 109.573 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.905 HG21 ' O ' ' A' ' 25' ' ' LYS . 27.8 p -112.37 154.09 26.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 63.549999999999997 110.346 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.7 m -136.5 12.17 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.073 . . . . 62.119999999999997 109.304 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 55.240000000000002 110.281 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.905 ' O ' HG21 ' A' ' 19' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.318 -0.623 . . . . 63.340000000000003 109.318 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.519 ' ND1' ' HA ' ' A' ' 30' ' ' PRO . 5.3 m170 -83.34 136.19 34.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 74.519999999999996 109.587 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -122.16 -77.11 0.59 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 74.230000000000004 109.372 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 m -96.87 -35.84 10.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 61.25 110.341 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -134.18 169.87 22.81 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.15 . . . . 73.329999999999998 111.003 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.525 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.06 138.09 22.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.447 1.762 . . . . 64.109999999999999 110.956 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.468 ' ND2' ' CB ' ' A' ' 19' ' ' THR . 9.8 t-20 -54.48 121.3 8.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 54.229999999999997 109.308 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 19' ' ' THR . 94.8 mt -59.8 -16.75 30.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.478 1.111 . . . . 74.540000000000006 109.335 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -40.07 -46.22 2.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 64.430000000000007 109.621 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.574 ' HA3' HH21 ' A' ' 38' ' ' ARG . . . -102.1 50.14 0.97 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.628 1.205 . . . . 75.209999999999994 110.991 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.768 HD21 HD11 ' A' ' 64' ' ' LEU . 20.5 tp -88.72 -75.62 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 0.737 . . . . 70.129999999999995 109.275 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -60.76 98.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 61.409999999999997 111.025 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.64 33.58 2.23 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 44.229999999999997 110.963 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.574 HH21 ' HA3' ' A' ' 34' ' ' GLY . 38.3 ttm-85 -150.06 106.46 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 74.140000000000001 110.262 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.798 ' HE3' HD11 ' A' ' 58' ' ' ILE . 4.3 ttmt -45.03 167.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 65.409999999999997 109.262 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.731 HG22 ' NE1' ' A' ' 59' ' ' TRP . 3.2 p -79.03 109.34 13.24 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 75.439999999999998 110.453 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.544 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 92.84 60.68 1.19 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.532 1.145 . . . . 62.5 110.958 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 43' ' ' ALA . 61.1 mm-40 -118.89 -38.38 3.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 74.219999999999999 110.316 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.54 99.94 0.2 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 70.230000000000004 109.315 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -75.02 -1.45 11.24 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.516 1.798 . . . . 70.109999999999999 110.989 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.2 -21.65 14.82 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.125 . . . . 63.409999999999997 111.033 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -146.78 119.28 8.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 0.76 . . . . 73.200000000000003 110.954 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.4 m -92.19 143.76 26.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 74.420000000000002 110.039 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.58 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 0.7 OUTLIER -100.91 -174.93 2.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.4 1.063 . . . . 74.5 111.035 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.42 HG23 ' HE2' ' A' ' 79' ' ' LYS . 3.3 p -57.91 175.4 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.6 1.187 . . . . 65.430000000000007 110.427 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.82 -15.92 46.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 65.450000000000003 109.303 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.73 -26.18 21.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 73.129999999999995 109.326 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -83.97 -50.78 7.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 72.120000000000005 109.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -51.83 -34.4 40.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 75.030000000000001 109.306 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -56.24 -40.6 74.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 64.310000000000002 109.281 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -52.95 137.32 32.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 71.129999999999995 109.349 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.43 76.58 0.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 74.099999999999994 111.013 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.429 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.6 pp -149.78 158.29 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 74.010000000000005 109.318 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.798 HD11 ' HE3' ' A' ' 39' ' ' LYS . 35.8 mm -88.91 126.14 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 71.129999999999995 109.282 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.731 ' NE1' HG22 ' A' ' 40' ' ' THR . 88.1 m95 -69.96 152.5 44.38 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.971 -1.122 . . . . 75.239999999999995 107.971 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.71 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -160.33 -155.4 7.74 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.54 1.15 . . . . 64.099999999999994 110.952 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.408 ' CG ' ' HD2' ' A' ' 99' ' ' LYS . 14.1 mt-10 -87.69 -32.95 18.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 64.129999999999995 110.264 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.446 ' CG ' ' N ' ' A' ' 63' ' ' THR . 2.4 p-10 -80.01 -49.39 11.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 64.109999999999999 109.275 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.446 ' N ' ' CG ' ' A' ' 62' ' ' ASP . 18.7 p -61.37 -18.89 60.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 73.219999999999999 110.409 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.768 HD11 HD21 ' A' ' 35' ' ' LEU . 20.8 mt -90.57 -47.39 7.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 75.519999999999996 109.308 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 tpt -44.17 -38.01 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 75.319999999999993 110.955 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 69' ' ' GLU . 64.8 tt0 -79.25 -54.23 6.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 74.209999999999994 110.317 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -48.4 -30.12 4.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 73.530000000000001 110.984 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.787 HD11 HD12 ' A' ' 94' ' ' LEU . 15.9 mt -78.3 -32.67 49.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 71.439999999999998 109.294 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 66' ' ' GLU . 59.4 tt0 -69.93 -30.51 67.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 72.120000000000005 110.294 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -170.91 85.2 0.51 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 62.350000000000001 109.339 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -33.79 4.31 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.459 1.768 . . . . 74.420000000000002 111.059 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.454 ' HA ' ' CE ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -58.69 -29.58 66.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 72.430000000000007 109.317 179.889 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.468 ' HB3' ' HZ3' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -81.57 -58.68 2.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 55.5 109.285 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -42.4 -31.83 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 73.430000000000007 111.032 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.56 ' O ' HG22 ' A' ' 78' ' ' THR . 3.2 mt -142.75 90.33 7.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 71.040000000000006 109.278 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 116.62 4.64 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.575 1.829 . . . . 75.430000000000007 110.992 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.75 -8.15 31.86 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 61.200000000000003 111.013 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 75' ' ' ILE . 2.1 t -51.45 171.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 74.510000000000005 110.392 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.72 ' O ' HD12 ' A' ' 81' ' ' ILE . 13.5 mtmt -96.73 -15.79 21.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 61.340000000000003 109.324 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 38.6 mmm -44.49 99.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 75.049999999999997 110.999 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 79' ' ' LYS . 1.8 mp -64.78 -19.24 25.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 73.129999999999995 109.362 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -45.69 168.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 64.530000000000001 110.967 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.6 m -117.17 -44.3 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 72.200000000000003 109.307 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.67 -179.2 17.84 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.131 . . . . 44.210000000000001 111.009 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.7 mt -132.07 148.67 32.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.557 0.798 . . . . 73.430000000000007 109.327 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -104.01 -37.42 7.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 72.239999999999995 109.296 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.504 ' HZ2' ' HB3' ' A' ' 87' ' ' LYS . 1.0 OUTLIER -76.82 108.11 9.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 71.109999999999999 109.287 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.57 -16.71 61.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 73.430000000000007 109.365 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -69.01 -51.9 34.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 73.439999999999998 110.263 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -58.73 -27.75 65.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 64.239999999999995 110.384 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 80.1 mtm-85 -69.86 -40.03 75.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 42.25 110.304 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 96' ' ' ALA . . . -65.63 -56.97 9.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 62.140000000000001 109.277 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -55.95 -39.69 72.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 75.329999999999998 109.328 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.787 HD12 HD11 ' A' ' 68' ' ' LEU . 2.9 tm? -62.9 -37.02 85.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 64.129999999999995 109.345 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.488 HD11 HD12 ' A' ' 68' ' ' LEU . 51.0 mt -83.88 -17.78 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 73.239999999999995 109.268 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 92' ' ' ALA . . . -73.84 -26.18 60.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.157 . . . . 61.140000000000001 109.307 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.566 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 5.6 t80 -97.38 -33.74 11.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 74.519999999999996 111.011 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.556 HD12 ' CD1' ' A' ' 94' ' ' LEU . 33.1 mt -74.48 -16.07 60.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 61.350000000000001 109.33 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.408 ' HD2' ' CG ' ' A' ' 61' ' ' GLU . 43.4 tttp -97.14 -15.78 20.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 74.099999999999994 109.309 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.9 tttp -105.89 -15.68 14.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 72.109999999999999 109.257 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -85.14 -45.71 11.79 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.528 1.142 . . . . 75.140000000000001 109.276 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.5 p -92.87 26.42 2.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.621 1.201 . . . . 73.129999999999995 110.458 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -133.58 15.67 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 70.439999999999998 109.339 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 74.299999999999997 110.319 179.928 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.014 -0.834 . . . . 52.200000000000003 111.014 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -61.52 127.71 32.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 63.420000000000002 109.299 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.1 m -78.14 -35.95 20.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.598 1.186 . . . . 75.340000000000003 109.327 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 7' ' ' LYS . 28.3 mt-10 -47.97 -58.63 4.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 73.120000000000005 110.27 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.791 ' O ' HD12 ' A' ' 9' ' ' ILE . 9.1 mmtm -49.13 -24.08 1.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 75.510000000000005 109.308 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.1 -24.85 15.67 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 72.040000000000006 111.004 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.556 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 0.7 OUTLIER -71.18 -61.17 1.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 74.430000000000007 109.29 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.724 ' HA ' HD12 ' A' ' 11' ' ' ILE . 29.7 mmtt -53.18 -47.48 68.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 60.43 109.318 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.791 HD12 ' O ' ' A' ' 5' ' ' LYS . 28.1 mt -60.67 -42.03 90.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 74.319999999999993 109.304 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.514 ' CD1' HD21 ' A' ' 98' ' ' LEU . 10.0 t80 -65.14 -16.94 64.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 72.239999999999995 111.013 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.724 HD12 ' HA ' ' A' ' 8' ' ' LYS . 45.3 mt -86.48 -61.16 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 74.439999999999998 109.296 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 44.2 mtt -59.06 -15.43 13.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 65.420000000000002 110.958 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.547 ' CE ' HG23 ' A' ' 9' ' ' ILE . 51.6 mttt -109.37 -42.76 4.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 64.409999999999997 109.272 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.82 77.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 32.539999999999999 108.271 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 p -109.37 131.25 55.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 63.310000000000002 110.013 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 38.92 47.22 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 65.25 110.344 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -137.79 -50.23 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 75.409999999999997 108.28 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.538 ' O ' HG23 ' A' ' 19' ' ' THR . 10.8 m-70 -103.57 -174.8 2.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 64.329999999999998 109.587 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 18' ' ' HIS . 9.4 p -156.08 155.58 32.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 63.549999999999997 110.419 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.441 HG23 ' N ' ' A' ' 21' ' ' GLU . 16.3 m -136.45 -47.66 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 62.119999999999997 109.288 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.441 ' N ' HG23 ' A' ' 20' ' ' VAL . 1.5 pt-20 -68.6 151.16 47.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 55.240000000000002 110.291 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -54.64 -39.06 67.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 73.140000000000001 109.275 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.81 -25.9 69.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.465 1.103 . . . . 60.399999999999999 111.003 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.91 88.47 0.66 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.978 -0.849 . . . . 42.539999999999999 110.978 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' O ' HG21 ' A' ' 19' ' ' THR . 8.4 ptpt -71.23 164.65 25.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 63.340000000000003 109.308 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.403 ' CD2' ' H ' ' A' ' 26' ' ' HIS . 8.6 m-70 -67.83 125.73 27.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.118 . . . . 74.519999999999996 109.624 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.5 mtmm -123.43 -103.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 74.230000000000004 109.322 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.9 m -69.94 -39.93 75.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 61.25 110.427 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -130.81 176.01 19.15 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 73.329999999999998 110.985 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.479 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -74.98 151.02 39.11 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 64.109999999999999 111.044 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.46 ' O ' HD23 ' A' ' 32' ' ' LEU . 8.4 t-20 -75.61 158.95 31.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 54.229999999999997 109.313 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.661 ' O ' HG22 ' A' ' 102' ' ' THR . 10.3 mt -128.61 98.9 5.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 74.540000000000006 109.283 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -118.41 -50.37 2.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 64.430000000000007 109.592 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.436 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -101.43 28.05 17.76 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.506 1.129 . . . . 75.209999999999994 110.965 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.652 HD21 HD11 ' A' ' 64' ' ' LEU . 6.3 tp -41.7 -73.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 70.129999999999995 109.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.563 ' CD1' ' HG3' ' A' ' 99' ' ' LYS . 52.9 m-85 -59.8 103.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 61.409999999999997 110.974 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.17 14.96 15.27 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.116 . . . . 44.229999999999997 110.998 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.436 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 19.3 ttp180 -137.7 137.99 38.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 74.140000000000001 110.315 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -77.32 -174.1 3.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 65.409999999999997 109.257 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 57' ' ' ILE . 20.3 p -87.8 157.35 19.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 75.439999999999998 110.408 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.525 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 60.68 39.17 96.25 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.431 1.082 . . . . 62.5 111.028 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -103.52 27.55 7.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 74.219999999999999 110.289 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.464 ' CB ' ' OH ' ' A' ' 48' ' ' TYR . . . -110.44 98.88 38.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 70.230000000000004 109.304 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 0.19 9.2 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.534 1.807 . . . . 70.109999999999999 110.992 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.44 -14.33 26.02 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.098 . . . . 63.409999999999997 110.986 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.594 ' O ' ' CE1' ' A' ' 48' ' ' TYR . 15.7 t80 -152.31 102.52 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 0.752 . . . . 73.200000000000003 110.998 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.4 m -74.85 133.65 41.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 74.420000000000002 109.978 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.594 ' CE1' ' O ' ' A' ' 46' ' ' TYR . 3.1 m-30 -93.85 -168.31 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 74.5 111.019 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 p -70.82 -175.96 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 65.430000000000007 110.398 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.92 -3.35 54.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 65.450000000000003 109.319 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -95.82 -39.33 9.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 73.129999999999995 109.335 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -80.85 -41.35 23.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 72.120000000000005 109.322 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -63.74 -15.27 58.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 75.030000000000001 109.295 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -98.0 -8.98 26.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 64.310000000000002 109.299 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -77.05 57.23 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 71.129999999999995 109.31 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.457 ' O ' ' CG2' ' A' ' 57' ' ' ILE . . . -62.77 85.93 0.05 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 74.099999999999994 110.992 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 40' ' ' THR . 2.4 pp -154.98 146.04 13.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.776 . . . . 74.010000000000005 109.298 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.6 mm -76.86 151.24 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 71.129999999999995 109.319 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.553 ' CZ2' HAA1 ' A' ' 500' ' ' HEC . 19.1 m95 -97.69 87.9 4.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 75.239999999999995 108.034 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -107.34 -176.88 22.65 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 64.099999999999994 111.007 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -77.93 -13.84 59.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 0.742 . . . . 64.129999999999995 110.344 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -88.96 -30.64 18.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 64.109999999999999 109.266 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 64' ' ' LEU . 63.1 p -91.06 -54.83 3.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 73.219999999999999 110.411 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.652 HD11 HD21 ' A' ' 35' ' ' LEU . 27.8 mt -40.63 -40.89 1.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 75.519999999999996 109.303 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.499 ' CE ' ' CB ' ' A' ' 91' ' ' ARG . 2.5 tpt -53.54 -68.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 75.319999999999993 110.958 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.05 -60.94 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 74.209999999999994 110.265 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.528 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 81.4 t80 -48.21 -41.19 26.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 73.530000000000001 111.012 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.044 HD12 HD11 ' A' ' 95' ' ' ILE . 18.5 mt -63.05 -33.36 75.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 71.439999999999998 109.338 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.405 ' HB2' ' NH1' ' A' ' 91' ' ' ARG . 33.6 tt0 -71.38 -39.27 71.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 72.120000000000005 110.311 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -163.06 83.91 1.45 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 62.350000000000001 109.291 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.528 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.02 -30.73 6.82 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.801 . . . . 74.420000000000002 111.024 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -51.62 -53.47 38.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 72.430000000000007 109.311 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -38.81 83.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 55.5 109.285 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -53.13 -32.04 45.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 73.430000000000007 110.981 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.5 mt -146.84 89.9 5.59 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 71.040000000000006 109.316 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 143.84 29.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.508 1.794 . . . . 75.430000000000007 110.993 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.47 23.84 74.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.554 1.159 . . . . 61.200000000000003 111.031 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.459 ' OG1' ' CGD' ' A' ' 500' ' ' HEC . 5.5 t -84.6 -179.66 7.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 74.510000000000005 110.441 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.45 -28.8 12.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 61.340000000000003 109.273 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.419 ' N ' ' O2D' ' A' ' 500' ' ' HEC . 8.0 ttt -63.3 132.85 52.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 75.049999999999997 110.997 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.8 mt -112.41 128.59 68.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 73.129999999999995 109.294 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -163.48 155.93 18.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 64.530000000000001 111.033 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.5 m -98.37 -35.44 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 72.200000000000003 109.304 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 118.12 176.9 17.05 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.439 1.087 . . . . 44.210000000000001 110.999 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 14.4 mt -127.13 142.3 43.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 73.430000000000007 109.319 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -90.88 -67.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 72.239999999999995 109.337 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -51.98 133.26 32.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 71.109999999999999 109.309 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -83.68 -23.71 31.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 73.430000000000007 109.318 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.7 mp0 -70.79 -48.09 56.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 73.439999999999998 110.333 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.78 -25.26 54.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 64.239999999999995 110.328 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.499 ' CB ' ' CE ' ' A' ' 65' ' ' MET . 48.6 mtm180 -81.41 -37.31 28.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 42.25 110.295 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 96' ' ' ALA . . . -59.96 -59.25 5.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 62.140000000000001 109.279 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.443 ' HA ' ' HB3' ' A' ' 96' ' ' ALA . 14.0 m-20 -54.19 -32.9 56.85 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 75.329999999999998 109.325 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.16 -42.83 96.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 64.129999999999995 109.333 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 1.044 HD11 HD12 ' A' ' 68' ' ' LEU . 21.5 mt -83.08 -15.77 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 73.239999999999995 109.311 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.443 ' HB3' ' HA ' ' A' ' 93' ' ' ASP . . . -77.08 -24.61 51.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 61.140000000000001 109.287 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.556 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 3.3 t80 -96.18 -47.73 5.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 74.519999999999996 110.976 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.874 ' O ' HG23 ' A' ' 102' ' ' THR . 24.3 mt -53.07 -28.96 27.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 61.350000000000001 109.318 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.563 ' HG3' ' CD1' ' A' ' 36' ' ' PHE . 76.7 tttt -72.17 -44.39 63.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 74.099999999999994 109.326 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -78.17 -15.02 59.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 72.109999999999999 109.334 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -85.8 -38.78 17.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 75.140000000000001 109.333 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.874 HG23 ' O ' ' A' ' 98' ' ' LEU . 57.1 p -79.73 -49.58 11.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 73.129999999999995 110.424 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -47.09 -54.98 9.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 70.439999999999998 109.285 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 74.299999999999997 110.241 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.769 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.021 -0.832 . . . . 52.200000000000003 111.021 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -51.49 118.68 3.48 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.485 0.756 . . . . 63.420000000000002 109.316 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.0 OUTLIER -78.72 -39.1 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 75.340000000000003 109.283 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 7' ' ' LYS . 7.1 mm-40 -48.79 -57.11 6.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 73.120000000000005 110.317 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.814 ' O ' HD12 ' A' ' 9' ' ' ILE . 4.6 mptp? -48.46 -24.46 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 75.510000000000005 109.372 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 10' ' ' PHE . . . -96.61 -24.9 12.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 72.040000000000006 111.057 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.574 ' CD ' ' CZ ' ' A' ' 97' ' ' TYR . 12.4 tptm -63.9 -37.76 88.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 0.814 . . . . 74.430000000000007 109.324 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.542 ' N ' ' CD ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -77.77 -52.53 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 60.43 109.27 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.814 HD12 ' O ' ' A' ' 5' ' ' LYS . 42.8 mt -60.09 -25.28 32.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 74.319999999999993 109.291 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.498 ' CB ' ' O ' ' A' ' 6' ' ' GLY . 10.1 t80 -66.4 -30.79 71.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 72.239999999999995 110.982 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.6 mt -81.66 -70.56 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 74.439999999999998 109.418 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 12.4 mmt -39.38 -31.36 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 65.420000000000002 111.018 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -98.25 -38.8 9.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 64.409999999999997 109.36 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.9 OUTLIER -133.23 80.95 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 32.539999999999999 108.244 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.0 p -82.07 -86.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 63.310000000000002 110.021 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -112.9 59.21 0.65 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.596 1.185 . . . . 65.25 110.334 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.421 ' HA ' ' OG1' ' A' ' 28' ' ' THR . 1.3 m -131.93 -50.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 75.409999999999997 108.278 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -112.19 167.15 10.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 64.329999999999998 109.579 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.1 p -136.26 173.85 11.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 63.549999999999997 110.408 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.499 ' HB ' ' HB1' ' A' ' 101' ' ' ALA . 33.1 m -138.2 -51.25 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 62.119999999999997 109.276 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.479 ' N ' HG23 ' A' ' 20' ' ' VAL . 5.9 pt-20 -38.91 114.33 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.174 . . . . 55.240000000000002 110.356 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.2 -44.38 22.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 73.140000000000001 109.289 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.3 48.78 4.09 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.461 1.101 . . . . 60.399999999999999 110.995 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -117.34 -175.32 17.22 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.985 -0.846 . . . . 42.539999999999999 110.985 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -123.11 174.45 7.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 0.791 . . . . 63.340000000000003 109.294 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -106.1 131.02 53.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 74.519999999999996 109.582 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -117.64 -99.46 0.44 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.551 1.157 . . . . 74.230000000000004 109.303 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.421 ' OG1' ' HA ' ' A' ' 17' ' ' CYS . 16.4 p -74.39 -35.46 63.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 61.25 110.461 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.49 172.95 22.53 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.49 1.119 . . . . 73.329999999999998 111.031 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.516 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -75.0 147.61 34.13 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.403 1.739 . . . . 64.109999999999999 111.042 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' A' ' 32' ' ' LEU . 7.2 t-20 -63.64 168.41 4.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 54.229999999999997 109.299 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.646 ' HB3' HG22 ' A' ' 102' ' ' THR . 8.8 mp -117.89 86.1 2.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 74.540000000000006 109.298 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -119.44 -56.36 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 64.430000000000007 109.62 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.09 25.39 27.98 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 75.209999999999994 110.97 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.797 HD21 HD11 ' A' ' 64' ' ' LEU . 17.0 tp -40.48 -74.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 70.129999999999995 109.299 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.537 ' CE1' ' HB2' ' A' ' 99' ' ' LYS . 58.1 m-85 -63.83 95.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 61.409999999999997 110.933 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.66 31.85 2.05 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.433 1.083 . . . . 44.229999999999997 111.005 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -142.39 108.24 5.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 0.737 . . . . 74.140000000000001 110.337 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.58 177.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.595 1.184 . . . . 65.409999999999997 109.277 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.0 p -77.08 162.35 27.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 75.439999999999998 110.446 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.529 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 41.2 56.59 3.29 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.517 1.136 . . . . 62.5 111.035 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 43' ' ' ALA . 41.9 mm-40 -112.27 -29.46 7.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 0.756 . . . . 74.219999999999999 110.294 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.513 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -39.44 99.85 0.2 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 70.230000000000004 109.264 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.0 Cg_endo -75.05 61.2 5.66 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.52 1.8 . . . . 70.109999999999999 110.969 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -177.6 -47.38 0.07 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.527 1.142 . . . . 63.409999999999997 110.985 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -110.88 123.75 50.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 0.722 . . . . 73.200000000000003 110.955 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.9 p -96.22 139.87 31.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 74.420000000000002 109.923 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.529 ' CE2' ' HA2' ' A' ' 41' ' ' GLY . 1.8 m-30 -96.36 -174.09 2.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 74.5 111.02 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.5 p -69.15 168.41 14.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 65.430000000000007 110.395 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.84 -15.46 61.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 65.450000000000003 109.231 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.87 -25.82 32.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.387 1.054 . . . . 73.129999999999995 109.242 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -90.58 -62.37 1.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.603 1.189 . . . . 72.120000000000005 109.361 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -40.79 -29.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 75.030000000000001 109.293 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.449 ' N ' ' C ' ' A' ' 52' ' ' ASN . 3.1 t-20 -62.5 -53.78 49.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 64.310000000000002 109.324 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' ASN . 7.1 tptt -40.52 145.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 71.129999999999995 109.339 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.29 78.87 0.27 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.463 1.102 . . . . 74.099999999999994 110.99 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.9 pp -149.88 172.52 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.742 . . . . 74.010000000000005 109.268 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.2 mm -104.58 148.43 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 71.129999999999995 109.315 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.433 ' CZ2' HAA1 ' A' ' 500' ' ' HEC . 80.2 m95 -93.14 146.82 23.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 75.239999999999995 108.021 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.723 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -165.45 -145.56 4.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.122 . . . . 64.099999999999994 111.044 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -86.98 -47.18 9.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 0.747 . . . . 64.129999999999995 110.336 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -68.46 -64.13 0.92 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 64.109999999999999 109.294 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.403 ' H ' HG23 ' A' ' 63' ' ' THR . 71.8 p -41.2 -54.22 2.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 73.219999999999999 110.419 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.797 HD11 HD21 ' A' ' 35' ' ' LEU . 69.2 mt -59.25 -60.0 4.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 75.519999999999996 109.312 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.464 ' CE ' ' HB2' ' A' ' 91' ' ' ARG . 30.0 tpp -43.13 -32.25 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 75.319999999999993 111.023 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -79.25 -39.24 33.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 74.209999999999994 110.303 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.604 ' CE1' ' CB ' ' A' ' 71' ' ' PRO . 12.2 t80 -64.79 -51.84 60.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 73.530000000000001 110.986 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.491 HD12 ' CD1' ' A' ' 85' ' ' ILE . 4.3 mm? -49.09 -44.95 42.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 71.439999999999998 109.319 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -49.12 -44.31 42.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 72.120000000000005 110.391 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -167.23 85.6 0.81 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 62.350000000000001 109.313 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.604 ' CB ' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.97 -0.67 10.23 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.423 1.749 . . . . 74.420000000000002 110.993 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -84.03 -30.18 26.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 72.430000000000007 109.273 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -84.86 -41.43 16.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 55.5 109.288 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -56.95 -37.88 72.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 73.430000000000007 111.034 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.541 ' O ' HG22 ' A' ' 78' ' ' THR . 18.7 mt -147.95 90.38 5.1 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 71.040000000000006 109.257 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 122.34 7.13 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 75.430000000000007 111.061 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.71 -12.19 35.38 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.477 1.11 . . . . 61.200000000000003 111.02 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.541 HG22 ' O ' ' A' ' 75' ' ' ILE . 2.8 t -52.3 167.48 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 0.756 . . . . 74.510000000000005 110.38 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 81' ' ' ILE . 3.1 mtmp? -88.81 -17.37 29.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 61.340000000000003 109.348 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.475 ' HG2' ' C4D' ' A' ' 500' ' ' HEC . 15.1 mmm -52.94 88.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 75.049999999999997 111.011 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.714 ' O ' HG22 ' A' ' 81' ' ' ILE . 14.1 mm -72.01 72.5 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 73.129999999999995 109.354 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -140.51 156.39 46.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.091 . . . . 64.530000000000001 110.973 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.6 m -105.95 -29.42 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 72.200000000000003 109.32 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 122.98 -178.18 16.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 44.210000000000001 111.025 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.491 ' CD1' HD12 ' A' ' 68' ' ' LEU . 20.3 mt -114.89 140.31 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.769 . . . . 73.430000000000007 109.345 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.2 mttp -79.59 -69.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 72.239999999999995 109.359 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -56.61 109.15 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 71.109999999999999 109.293 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.72 -17.71 63.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 73.430000000000007 109.303 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -82.07 -15.83 52.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 73.439999999999998 110.271 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -82.86 -13.37 56.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 64.239999999999995 110.276 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.464 ' HB2' ' CE ' ' A' ' 65' ' ' MET . 23.3 mtt180 -96.51 -30.17 13.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 42.25 110.317 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.663 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -70.85 -21.29 62.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 62.140000000000001 109.338 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -92.99 -37.81 11.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 75.329999999999998 109.421 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.35 -40.53 81.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 64.129999999999995 109.29 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 50.0 mt -78.53 -19.4 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.082 . . . . 73.239999999999995 109.266 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -74.98 -38.54 61.62 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 61.140000000000001 109.292 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.574 ' CZ ' ' CD ' ' A' ' 7' ' ' LYS . 1.6 t80 -79.81 -44.65 20.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 74.519999999999996 110.908 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.857 ' O ' HG23 ' A' ' 102' ' ' THR . 17.8 mt -48.72 -49.93 35.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 61.350000000000001 109.353 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 57.5 tttm -56.34 -43.5 79.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 74.099999999999994 109.326 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -72.89 -19.07 61.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 72.109999999999999 109.291 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.499 ' HB1' ' HB ' ' A' ' 20' ' ' VAL . . . -79.03 -38.19 37.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 75.140000000000001 109.333 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 98' ' ' LEU . 18.8 p -77.86 -45.77 23.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 73.129999999999995 110.461 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -41.04 -67.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 70.439999999999998 109.356 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 74.299999999999997 110.353 179.956 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.772 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.994 -0.842 . . . . 52.200000000000003 110.994 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -48.28 118.02 2.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 0.757 . . . . 63.420000000000002 109.279 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.0 OUTLIER -79.08 -41.36 23.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 75.340000000000003 109.327 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.9 mp0 -45.28 -52.79 9.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 73.120000000000005 110.274 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.656 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.8 mptp? -52.5 -32.44 40.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 75.510000000000005 109.322 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -88.76 -20.47 47.18 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.439 1.087 . . . . 72.040000000000006 110.97 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.572 ' O ' HD12 ' A' ' 11' ' ' ILE . 9.1 ttpp -72.65 -33.02 66.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 0.758 . . . . 74.430000000000007 109.279 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -87.36 -25.34 23.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 60.43 109.305 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 5' ' ' LYS . 72.8 mt -83.37 -30.16 8.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 74.319999999999993 109.299 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.846 ' CE1' HD21 ' A' ' 98' ' ' LEU . 37.9 t80 -77.49 -23.48 50.3 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.463 1.102 . . . . 72.239999999999995 111.033 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.572 HD12 ' O ' ' A' ' 7' ' ' LYS . 64.5 mt -86.73 -55.47 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 74.439999999999998 109.298 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 20.1 mtm -57.38 -16.36 8.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 65.420000000000002 111.02 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.579 ' HE2' HG23 ' A' ' 9' ' ' ILE . 34.1 mttm -114.33 -36.61 4.6 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.443 1.089 . . . . 64.409999999999997 109.298 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -130.11 79.78 1.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 32.539999999999999 108.302 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.552 ' HB3' HG23 ' A' ' 11' ' ' ILE . 2.4 p -120.06 141.05 50.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 63.310000000000002 110.041 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 43.32 41.41 3.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 65.25 110.289 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.15 -49.76 0.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 75.409999999999997 108.27 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.415 ' C ' HG23 ' A' ' 19' ' ' THR . 6.8 m-70 -100.77 -176.73 3.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 64.329999999999998 109.547 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.415 HG23 ' C ' ' A' ' 18' ' ' HIS . 20.2 p -153.12 138.22 17.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 63.549999999999997 110.436 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.5 m -118.98 -42.98 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.384 1.052 . . . . 62.119999999999997 109.305 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -50.62 148.55 3.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 55.240000000000002 110.375 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -78.8 -42.84 26.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 73.140000000000001 109.234 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.25 55.86 4.55 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.517 1.136 . . . . 60.399999999999999 111.031 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -137.07 161.88 25.22 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.995 -0.842 . . . . 42.539999999999999 110.995 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -85.24 176.35 8.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 63.340000000000003 109.293 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -94.91 84.12 4.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 74.519999999999996 109.597 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 29' ' ' GLY . 21.8 mmmt -53.53 -175.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 74.230000000000004 109.252 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.9 m -38.83 -31.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 61.25 110.417 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -116.09 163.09 12.41 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 73.329999999999998 111.007 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 151.48 39.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 64.109999999999999 110.971 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.627 ' C ' HD13 ' A' ' 32' ' ' LEU . 26.9 t-20 -81.07 151.86 28.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 54.229999999999997 109.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.783 ' O ' HG22 ' A' ' 102' ' ' THR . 0.2 OUTLIER -116.42 94.08 4.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 74.540000000000006 109.24 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.0 t-160 -108.18 -53.5 2.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 64.430000000000007 109.57 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.433 ' HA3' HH21 ' A' ' 38' ' ' ARG . . . -102.15 25.14 28.82 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.108 . . . . 75.209999999999994 110.957 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.771 HD21 HD11 ' A' ' 64' ' ' LEU . 12.3 tp -40.53 -58.85 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.754 . . . . 70.129999999999995 109.279 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 99' ' ' LYS . 51.2 m-85 -79.53 81.39 5.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 61.409999999999997 111.103 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.98 -10.5 3.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.4 1.062 . . . . 44.229999999999997 111.026 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.433 HH21 ' HA3' ' A' ' 34' ' ' GLY . 36.8 ttm-85 -108.61 127.4 53.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 74.140000000000001 110.345 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.1 -171.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 65.409999999999997 109.296 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.754 HG22 ' NE1' ' A' ' 59' ' ' TRP . 2.3 p -104.51 111.4 24.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 75.439999999999998 110.332 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.45 44.84 2.45 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.528 1.143 . . . . 62.5 111.009 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.419 ' N ' ' CD ' ' A' ' 42' ' ' GLN . 3.0 mm100 -113.21 -17.56 12.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 0.78 . . . . 74.219999999999999 110.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.795 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -39.52 99.9 0.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 70.230000000000004 109.307 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.5 Cg_endo -74.94 -0.15 9.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 70.109999999999999 110.958 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.09 -14.86 15.7 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.574 1.171 . . . . 63.409999999999997 111.041 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.598 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 15.2 t80 -165.46 124.58 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 73.200000000000003 110.978 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 57.8 m -94.51 141.63 28.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 74.420000000000002 110.01 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.795 ' OH ' ' HB2' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -95.08 -174.77 3.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 74.5 110.993 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.456 HG23 ' CD ' ' A' ' 79' ' ' LYS . 2.7 p -52.86 179.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 65.430000000000007 110.449 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.59 6.13 39.56 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.433 1.083 . . . . 65.450000000000003 109.292 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.62 -49.86 4.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.395 1.059 . . . . 73.129999999999995 109.31 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.71 -47.94 61.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 72.120000000000005 109.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -51.9 -30.92 26.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 75.030000000000001 109.296 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.43 -31.76 67.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 64.310000000000002 109.243 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.3 tptp -55.82 138.82 47.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 71.129999999999995 109.263 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.407 ' C ' HG23 ' A' ' 57' ' ' ILE . . . -135.1 72.13 0.47 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 74.099999999999994 110.976 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.407 HG23 ' C ' ' A' ' 56' ' ' GLY . 2.4 pp -151.29 142.72 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.78 . . . . 74.010000000000005 109.311 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.0 mm -79.26 126.47 39.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 71.129999999999995 109.239 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.754 ' NE1' HG22 ' A' ' 40' ' ' THR . 21.2 m95 -61.68 148.21 43.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 75.239999999999995 107.96 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -157.18 -156.47 7.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 64.099999999999994 111.007 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.6 mp0 -83.78 -47.89 10.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 0.795 . . . . 64.129999999999995 110.315 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -65.11 -58.76 5.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 64.109999999999999 109.249 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.8 p -47.94 -38.8 17.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 73.219999999999999 110.364 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.771 HD11 HD21 ' A' ' 35' ' ' LEU . 29.4 mt -75.99 -32.54 59.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 75.519999999999996 109.311 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.9 tpt -53.66 -58.23 7.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 75.319999999999993 110.963 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -67.16 -51.07 58.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 74.209999999999994 110.304 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.517 ' HB2' ' CD2' ' A' ' 74' ' ' TYR . 56.3 t80 -49.9 -69.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 73.530000000000001 111.006 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -42.26 -51.23 4.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 71.439999999999998 109.279 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -47.81 -44.85 29.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 72.120000000000005 110.32 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -165.71 87.3 0.95 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 62.350000000000001 109.309 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.443 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.6 Cg_endo -74.93 -13.48 21.56 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.531 1.806 . . . . 74.420000000000002 110.993 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -64.51 -15.98 61.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 72.430000000000007 109.326 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.28 -33.68 7.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 55.5 109.262 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.517 ' CD2' ' HB2' ' A' ' 67' ' ' TYR . 2.1 t80 -66.65 -41.46 88.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 73.430000000000007 111.022 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.0 mt -134.92 86.19 33.17 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 71.040000000000006 109.342 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 109.03 2.85 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.559 1.821 . . . . 75.430000000000007 111.019 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 127.3 -17.14 6.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.486 1.116 . . . . 61.200000000000003 110.972 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.0 t -47.04 168.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 0.736 . . . . 74.510000000000005 110.386 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.456 ' CD ' HG23 ' A' ' 49' ' ' THR . 7.9 pttt -120.93 38.94 3.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 61.340000000000003 109.354 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.8 ttt -103.33 119.26 38.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 75.049999999999997 110.979 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.2 mm -81.17 113.47 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 73.129999999999995 109.235 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.467 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 7.3 t80 -170.16 165.5 9.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 64.530000000000001 111.002 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 32.8 m -110.4 -44.21 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 72.200000000000003 109.311 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.467 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 118.1 161.09 11.81 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.46 1.1 . . . . 44.210000000000001 110.955 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.451 HG22 ' N ' ' A' ' 86' ' ' LYS . 18.5 mt -102.61 163.79 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 73.430000000000007 109.326 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.451 ' N ' HG22 ' A' ' 85' ' ' ILE . 1.2 ttmp? -110.28 -73.81 0.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 72.239999999999995 109.331 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -46.9 116.01 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 71.109999999999999 109.319 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? -60.91 -50.0 75.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 73.430000000000007 109.336 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.454 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 24.5 mt-10 -49.05 -41.75 36.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 73.439999999999998 110.319 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.5 ' HG2' HD13 ' A' ' 9' ' ' ILE . 11.0 tt0 -56.1 -39.94 72.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 64.239999999999995 110.288 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 84.6 mtm-85 -66.59 -23.08 66.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 42.25 110.375 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 89' ' ' GLU . . . -74.01 -51.25 16.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 62.140000000000001 109.37 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 94' ' ' LEU . 1.3 p30 -57.85 -29.76 65.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 75.329999999999998 109.294 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.477 HD12 HG22 ' A' ' 9' ' ' ILE . 1.7 tt -80.8 -41.1 23.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.587 1.18 . . . . 64.129999999999995 109.377 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 61.1 mt -74.22 -16.42 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 73.239999999999995 109.329 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 92' ' ' ALA . . . -79.67 -30.57 41.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 61.140000000000001 109.285 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.568 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 3.2 t80 -88.59 -54.01 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 74.519999999999996 110.983 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.951 ' O ' HG23 ' A' ' 102' ' ' THR . 14.1 mt -48.78 -36.02 15.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 61.350000000000001 109.338 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 56.3 tttp -69.98 -40.61 75.26 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.43 1.081 . . . . 74.099999999999994 109.302 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -77.19 -15.03 59.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 72.109999999999999 109.32 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -84.56 -39.94 18.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 75.140000000000001 109.293 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.951 HG23 ' O ' ' A' ' 98' ' ' LEU . 51.9 p -79.29 -35.47 41.23 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 73.129999999999995 110.424 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -69.58 -60.84 2.06 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.089 . . . . 70.439999999999998 109.351 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 74.299999999999997 110.316 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.779 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.974 -0.85 . . . . 52.200000000000003 110.974 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -75.81 142.62 42.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 0.807 . . . . 63.420000000000002 109.347 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.697 HG11 ' CE ' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -79.07 -36.97 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 75.340000000000003 109.288 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 7' ' ' LYS . 36.2 mt-10 -47.57 -58.1 4.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 73.120000000000005 110.313 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.847 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.4 mptm? -49.11 -25.27 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 75.510000000000005 109.299 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 10' ' ' PHE . . . -94.33 -24.6 18.51 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.12 . . . . 72.040000000000006 110.973 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.561 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 25.5 tttt -74.97 -30.79 61.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 0.743 . . . . 74.430000000000007 109.345 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -83.96 -30.67 26.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 60.43 109.354 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.847 HD12 ' O ' ' A' ' 5' ' ' LYS . 60.4 mt -84.76 -23.24 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 74.319999999999993 109.307 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.49 ' CB ' ' O ' ' A' ' 6' ' ' GLY . 21.1 t80 -75.92 -20.6 57.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 72.239999999999995 111.013 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.483 HG23 ' HB2' ' A' ' 15' ' ' SER . 63.0 mt -82.97 -62.89 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 74.439999999999998 109.266 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -20.25 13.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.152 . . . . 65.420000000000002 111.032 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 9' ' ' ILE . 5.3 mmpt? -103.95 -35.07 8.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 64.409999999999997 109.286 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -137.12 81.05 1.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 32.539999999999999 108.329 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.483 ' HB2' HG23 ' A' ' 11' ' ' ILE . 2.4 t -119.92 140.56 50.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 63.310000000000002 109.981 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 54.76 29.3 11.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 65.25 110.312 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.0 m -133.18 -57.73 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 75.409999999999997 108.329 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.495 ' HD1' HD21 ' A' ' 32' ' ' LEU . 74.0 m-70 -103.11 161.37 13.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 64.329999999999998 109.616 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.701 ' O ' HG22 ' A' ' 20' ' ' VAL . 72.7 p -119.35 -39.59 2.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 63.549999999999997 110.343 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.989 HG12 HD23 ' A' ' 32' ' ' LEU . 9.3 m 49.26 27.33 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.075 . . . . 62.119999999999997 109.26 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.422 ' CG ' ' HB ' ' A' ' 19' ' ' THR . 2.8 pt-20 -129.84 126.29 37.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 55.240000000000002 110.272 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 22' ' ' LYS . 18.4 pttm -76.78 103.08 6.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.085 . . . . 73.140000000000001 109.345 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.93 -25.19 2.68 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.429 1.081 . . . . 60.399999999999999 111.012 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.74 157.31 47.22 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.053 -0.819 . . . . 42.539999999999999 111.053 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.25 173.65 7.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.452 0.737 . . . . 63.340000000000003 109.313 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -89.86 75.6 7.25 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.559 1.162 . . . . 74.519999999999996 109.564 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.434 ' C ' ' N ' ' A' ' 29' ' ' GLY . 12.5 mtmt -53.27 -175.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.599 1.187 . . . . 74.230000000000004 109.231 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 m -38.79 -29.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 61.25 110.434 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.434 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . -115.53 159.42 13.81 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 73.329999999999998 110.985 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 149.47 36.99 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.525 1.803 . . . . 64.109999999999999 111.054 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.766 ' O ' HD13 ' A' ' 32' ' ' LEU . 3.7 t-20 -76.13 164.18 26.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 54.229999999999997 109.261 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.989 HD23 HG12 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -128.93 100.62 5.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 74.540000000000006 109.302 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.494 ' O ' ' CA ' ' A' ' 102' ' ' THR . 8.5 t-160 -111.55 -71.46 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 64.430000000000007 109.615 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.445 ' H ' HH21 ' A' ' 38' ' ' ARG . . . -102.09 28.06 17.6 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.499 1.125 . . . . 75.209999999999994 110.964 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 34' ' ' GLY . 3.9 tp -40.51 -46.89 2.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 70.129999999999995 109.333 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 99' ' ' LYS . 9.4 m-85 -78.03 82.35 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 61.409999999999997 111.009 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.18 -12.62 3.05 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.484 1.115 . . . . 44.229999999999997 111.001 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.445 HH21 ' H ' ' A' ' 34' ' ' GLY . 8.6 ptp180 -97.11 152.16 19.06 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.516 0.774 . . . . 74.140000000000001 110.279 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -80.99 170.19 16.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 65.409999999999997 109.34 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.2 p -76.18 109.76 10.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 75.439999999999998 110.418 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.444 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 88.64 50.17 3.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 62.5 110.998 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 43' ' ' ALA . 46.6 mm-40 -114.15 -14.56 12.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 0.742 . . . . 74.219999999999999 110.319 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.69 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -39.59 99.97 0.21 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 70.230000000000004 109.265 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.4 Cg_endo -75.0 73.24 4.39 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 70.109999999999999 111.015 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.48 -49.74 0.2 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.532 1.145 . . . . 63.409999999999997 110.935 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -121.94 81.97 1.89 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.476 0.75 . . . . 73.200000000000003 111.058 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.4 p -55.85 130.17 42.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 74.420000000000002 110.042 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.69 ' OH ' ' HB2' ' A' ' 43' ' ' ALA . 6.3 m-30 -80.32 -175.02 4.89 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.481 1.113 . . . . 74.5 110.955 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 36.7 p -72.38 -179.46 2.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 65.430000000000007 110.367 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.19 12.58 13.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 65.450000000000003 109.326 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.534 ' HB1' HG22 ' A' ' 75' ' ' ILE . . . -96.61 -38.9 9.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 73.129999999999995 109.324 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.499 ' OD1' ' CD1' ' A' ' 75' ' ' ILE . 2.2 t30 -100.75 -19.53 15.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 72.120000000000005 109.332 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.0 tttp -76.41 -29.26 57.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 75.030000000000001 109.273 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 14.3 p30 -71.98 -27.01 62.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 64.310000000000002 109.344 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.464 ' HE3' ' CE1' ' A' ' 74' ' ' TYR . 13.1 mmtt -55.56 156.68 4.49 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 71.129999999999995 109.32 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -138.19 16.75 3.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 74.099999999999994 110.941 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.516 HD12 ' N ' ' A' ' 58' ' ' ILE . 2.2 pp -90.55 178.98 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.433 0.725 . . . . 74.010000000000005 109.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.516 ' N ' HD12 ' A' ' 57' ' ' ILE . 30.7 mm -116.12 134.26 60.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 71.129999999999995 109.357 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 28.4 m95 -72.75 89.89 1.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 75.239999999999995 107.981 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.488 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -116.37 -147.88 8.92 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 64.099999999999994 111.075 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -89.56 -59.68 2.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 64.129999999999995 110.288 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -50.57 -44.23 56.64 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.525 1.14 . . . . 64.109999999999999 109.269 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.464 HG21 ' O ' ' A' ' 58' ' ' ILE . 27.7 p -65.0 -58.46 6.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 73.219999999999999 110.358 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.488 HD12 ' O ' ' A' ' 60' ' ' GLY . 17.7 mt -42.87 -47.86 5.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 75.519999999999996 109.32 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.424 ' CE ' ' HB3' ' A' ' 91' ' ' ARG . 2.6 tpt -46.36 -68.27 0.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 75.319999999999993 110.973 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 69' ' ' GLU . 2.0 tp10 -43.42 -57.85 2.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.085 . . . . 74.209999999999994 110.27 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.589 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 2.5 t80 -48.39 -42.84 33.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 73.530000000000001 111.025 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.708 HD12 HD11 ' A' ' 95' ' ' ILE . 64.3 mt -65.32 -28.21 69.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 71.439999999999998 109.31 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 66' ' ' GLU . 23.8 tt0 -78.52 -35.93 45.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 72.120000000000005 110.248 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -164.52 82.5 1.27 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 62.350000000000001 109.333 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.589 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.1 Cg_endo -74.97 -10.64 21.35 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.456 1.766 . . . . 74.420000000000002 110.981 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.423 ' HB3' ' HZ3' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -77.08 -47.69 19.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 72.430000000000007 109.299 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.4 ttmt -65.63 -44.46 86.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 55.5 109.25 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.486 ' OH ' ' CD1' ' A' ' 57' ' ' ILE . 1.6 t80 -48.17 -51.37 25.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 73.430000000000007 110.947 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.534 HG22 ' HB1' ' A' ' 51' ' ' ALA . 5.8 mt -135.65 90.33 20.01 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.451 1.094 . . . . 71.040000000000006 109.369 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 98.69 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.518 1.799 . . . . 75.430000000000007 111.036 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 133.82 -16.54 4.49 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.543 1.152 . . . . 61.200000000000003 110.945 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 75' ' ' ILE . 3.2 t -44.08 164.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 0.802 . . . . 74.510000000000005 110.445 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? -93.99 17.26 12.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 61.340000000000003 109.255 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.436 ' CE ' ' OH ' ' A' ' 67' ' ' TYR . 11.2 tpp -76.06 144.81 40.55 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.585 1.178 . . . . 75.049999999999997 110.91 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.441 HD12 ' CBC' ' A' ' 500' ' ' HEC . 29.3 mt -118.33 74.5 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 73.129999999999995 109.317 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -155.35 173.95 15.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 64.530000000000001 110.971 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.2 m -118.64 -45.72 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 72.200000000000003 109.231 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 138.67 162.65 9.25 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 44.210000000000001 111.002 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.8 mt -103.81 152.11 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.411 0.712 . . . . 73.430000000000007 109.284 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.6 tptp -95.07 -75.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 72.239999999999995 109.316 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -40.56 141.55 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 71.109999999999999 109.352 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -78.04 -42.64 31.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 73.430000000000007 109.338 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -55.95 -60.79 2.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 73.439999999999998 110.308 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.604 ' HG3' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -38.65 -38.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 64.239999999999995 110.25 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.424 ' HB3' ' CE ' ' A' ' 65' ' ' MET . 52.6 mtm180 -74.05 -54.9 6.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 42.25 110.312 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -48.8 -58.76 4.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 62.140000000000001 109.276 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 96' ' ' ALA . 71.9 m-20 -50.59 -56.77 10.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 75.329999999999998 109.293 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.4 tp -48.85 -34.79 13.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 64.129999999999995 109.284 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.708 HD11 HD12 ' A' ' 68' ' ' LEU . 43.2 mt -75.67 -34.88 29.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 73.239999999999995 109.314 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -57.34 -24.6 56.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 61.140000000000001 109.395 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.561 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 1.2 t80 -97.96 -37.97 9.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 74.519999999999996 111.028 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.496 HD11 HMB3 ' A' ' 500' ' ' HEC . 15.3 mt -72.22 -15.23 61.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 61.350000000000001 109.352 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.532 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 66.2 tttt -96.04 -22.32 17.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.593 1.183 . . . . 74.099999999999994 109.222 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.697 ' CE ' HG11 ' A' ' 3' ' ' VAL . 18.5 ttpp -98.02 -18.81 18.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 72.109999999999999 109.268 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.457 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -79.71 -29.14 40.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 75.140000000000001 109.315 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.494 ' CA ' ' O ' ' A' ' 33' ' ' HIS . 46.2 p -104.04 33.1 3.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.404 1.065 . . . . 73.129999999999995 110.45 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -124.07 -50.67 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 70.439999999999998 109.319 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 74.299999999999997 110.342 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.797 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.012 -0.835 . . . . 52.200000000000003 111.012 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -50.76 169.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 63.420000000000002 109.326 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.86 HG12 ' HA ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -117.28 -52.12 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 75.340000000000003 109.262 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -40.56 -44.97 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 73.120000000000005 110.289 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.675 ' O ' HD12 ' A' ' 9' ' ' ILE . 2.7 mmmp? -55.77 -47.05 77.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 75.510000000000005 109.297 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.479 ' O ' ' CB ' ' A' ' 10' ' ' PHE . . . -79.02 -12.65 83.88 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.524 1.14 . . . . 72.040000000000006 111.001 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.574 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 16.5 tptm -72.91 -72.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 74.430000000000007 109.284 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -52.36 -36.05 52.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 60.43 109.304 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.675 HD12 ' O ' ' A' ' 5' ' ' LYS . 96.7 mt -66.91 -43.61 89.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 74.319999999999993 109.312 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 1.157 ' CE1' HD21 ' A' ' 98' ' ' LEU . 29.9 t80 -66.95 -27.51 67.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 72.239999999999995 110.997 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.536 HG23 ' HB2' ' A' ' 15' ' ' SER . 48.2 mt -82.83 -70.24 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 74.439999999999998 109.328 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.4 mmt -42.19 -27.08 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 65.420000000000002 110.994 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -101.69 -37.38 8.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 64.409999999999997 109.294 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -133.03 82.95 2.02 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.156 . . . . 32.539999999999999 108.284 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.536 ' HB2' HG23 ' A' ' 11' ' ' ILE . 42.8 t -123.32 150.26 43.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 63.310000000000002 110.035 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 41.47 36.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 65.25 110.325 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.87 -61.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 75.409999999999997 108.3 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -88.21 -178.34 5.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 64.329999999999998 109.618 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 31' ' ' ASN . 3.0 p -146.53 143.39 28.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.153 . . . . 63.549999999999997 110.331 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.0 m -124.61 -44.48 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 62.119999999999997 109.373 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -52.97 152.53 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 55.240000000000002 110.29 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -88.02 -17.98 29.98 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.563 1.164 . . . . 73.140000000000001 109.331 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.28 42.41 1.93 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.565 1.166 . . . . 60.399999999999999 110.975 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -131.01 162.23 23.54 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.955 -0.858 . . . . 42.539999999999999 110.955 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.1 pttm -88.56 -175.77 5.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 0.785 . . . . 63.340000000000003 109.276 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -94.11 79.22 4.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 74.519999999999996 109.55 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.41 ' C ' ' N ' ' A' ' 29' ' ' GLY . 16.5 mtpt -53.93 -174.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 74.230000000000004 109.285 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.7 m -39.33 -30.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 61.25 110.427 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.41 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . -120.28 157.35 15.74 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.517 1.135 . . . . 73.329999999999998 110.965 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 151.78 39.86 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.497 1.788 . . . . 64.109999999999999 111.002 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' A' ' 19' ' ' THR . 6.2 t-20 -71.83 136.64 47.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 54.229999999999997 109.281 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.468 ' CB ' HG21 ' A' ' 102' ' ' THR . 1.0 OUTLIER -77.7 -13.64 59.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 74.540000000000006 109.301 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 32' ' ' LEU . 6.8 t-80 -39.98 -37.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 64.430000000000007 109.649 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -100.83 47.92 1.19 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 75.209999999999994 110.997 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.683 HD21 HD11 ' A' ' 64' ' ' LEU . 14.2 tp -95.33 -75.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 0.736 . . . . 70.129999999999995 109.295 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.596 ' CE1' HD23 ' A' ' 35' ' ' LEU . 68.8 m-85 -68.38 118.96 12.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 61.409999999999997 111.008 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.13 16.8 36.79 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.482 1.113 . . . . 44.229999999999997 111.051 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.1 ttm-85 -139.54 159.0 43.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 0.749 . . . . 74.140000000000001 110.299 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -96.73 -174.23 2.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 65.409999999999997 109.26 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.0 p -88.29 132.32 34.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 75.439999999999998 110.345 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.95 48.26 12.01 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.388 1.055 . . . . 62.5 111.014 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 43' ' ' ALA . 79.6 mm-40 -110.34 -35.61 6.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 0.756 . . . . 74.219999999999999 110.304 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.545 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -39.57 99.9 0.2 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 70.230000000000004 109.203 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.4 Cg_endo -74.98 -7.0 18.78 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.495 1.787 . . . . 70.109999999999999 111.011 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -94.65 -4.97 61.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 63.409999999999997 110.947 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -168.24 111.34 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 73.200000000000003 110.987 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.8 p -79.63 121.52 25.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 74.420000000000002 109.986 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.545 ' OH ' ' HB2' ' A' ' 43' ' ' ALA . 5.5 m-30 -74.18 -175.02 2.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 74.5 110.976 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.641 HG23 ' HE2' ' A' ' 79' ' ' LYS . 7.0 p -70.56 175.57 4.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 65.430000000000007 110.383 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.16 -16.09 57.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 65.450000000000003 109.365 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.542 ' HB1' ' O ' ' A' ' 76' ' ' PRO . . . -76.03 -27.74 57.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 73.129999999999995 109.315 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 55' ' ' LYS . 2.1 t30 -98.22 -47.73 5.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 72.120000000000005 109.322 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -44.1 -30.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 75.030000000000001 109.341 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -71.39 -49.87 37.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 64.310000000000002 109.316 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 52' ' ' ASN . 0.3 OUTLIER -47.56 138.54 7.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.401 1.063 . . . . 71.129999999999995 109.267 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -141.5 73.68 0.37 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.53 1.144 . . . . 74.099999999999994 111.022 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.403 HD12 ' O ' ' A' ' 58' ' ' ILE . 2.3 pp -142.02 159.77 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.753 . . . . 74.010000000000005 109.248 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.403 ' O ' HD12 ' A' ' 57' ' ' ILE . 3.6 mm -85.79 152.96 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 71.129999999999995 109.28 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.527 ' CD1' HD12 ' A' ' 35' ' ' LEU . 38.6 m95 -96.67 96.68 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.972 -1.121 . . . . 75.239999999999995 107.972 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.557 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -108.35 -172.34 21.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 64.099999999999994 111.044 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.486 ' O ' ' CG ' ' A' ' 65' ' ' MET . 29.7 mt-10 -82.42 -15.3 53.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.777 . . . . 64.129999999999995 110.336 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -89.39 -42.52 11.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 64.109999999999999 109.35 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.0 p -73.76 -30.29 62.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 73.219999999999999 110.402 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.683 HD11 HD21 ' A' ' 35' ' ' LEU . 37.8 mt -79.83 -17.97 51.97 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.587 1.179 . . . . 75.519999999999996 109.303 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.486 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 2.9 mmt -77.11 -27.43 54.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 75.319999999999993 111.029 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -96.15 -34.71 11.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 74.209999999999994 110.293 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 4.0 t80 -66.14 -35.51 80.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 73.530000000000001 111.036 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.049 HD12 HD11 ' A' ' 95' ' ' ILE . 7.8 mt -67.5 -29.89 69.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 71.439999999999998 109.221 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -66.69 -40.44 88.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 72.120000000000005 110.318 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -163.95 79.62 1.5 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 62.350000000000001 109.348 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.01 -11.04 21.45 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.502 1.791 . . . . 74.420000000000002 110.997 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.463 ' HA ' ' CE ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER -67.89 -15.87 63.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 72.430000000000007 109.341 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.95 -53.67 2.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 55.5 109.29 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.409 ' CD2' ' HB2' ' A' ' 67' ' ' TYR . 1.8 t80 -42.08 -32.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 73.430000000000007 111.035 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.421 HG22 ' HB ' ' A' ' 78' ' ' THR . 5.3 mm -134.98 89.93 23.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 71.040000000000006 109.284 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.542 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 18.2 Cg_endo -75.01 104.55 1.92 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.443 1.76 . . . . 75.430000000000007 110.957 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.02 43.46 1.64 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.551 1.157 . . . . 61.200000000000003 111.023 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.502 HG23 ' HB2' ' A' ' 80' ' ' MET . 6.3 t -102.67 157.25 17.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 74.510000000000005 110.388 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.641 ' HE2' HG23 ' A' ' 49' ' ' THR . 27.8 mttm -77.67 -16.5 58.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.417 1.073 . . . . 61.340000000000003 109.312 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.502 ' HB2' HG23 ' A' ' 78' ' ' THR . 45.0 mmm -42.87 148.33 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 75.049999999999997 111.049 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.417 HD13 ' O ' ' A' ' 80' ' ' MET . 5.6 mm -132.59 52.89 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 73.129999999999995 109.325 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.504 ' CE1' ' CBB' ' A' ' 500' ' ' HEC . 10.2 t80 -109.99 177.84 4.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.12 . . . . 64.530000000000001 110.985 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.2 m -123.43 -45.17 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 72.200000000000003 109.259 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 131.57 162.69 10.6 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.498 1.124 . . . . 44.210000000000001 110.994 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 82.4 mt -116.31 144.07 24.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.554 0.796 . . . . 73.430000000000007 109.316 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -92.79 -38.56 11.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 72.239999999999995 109.358 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -73.75 126.64 30.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 71.109999999999999 109.338 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -75.54 -37.26 60.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 73.430000000000007 109.238 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -60.06 -52.66 64.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 73.439999999999998 110.319 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -48.78 -37.37 18.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 64.239999999999995 110.293 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.462 ' HB3' ' CE ' ' A' ' 65' ' ' MET . 58.3 mtm180 -71.53 -39.58 70.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 42.25 110.328 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.14 -63.23 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.577 1.173 . . . . 62.140000000000001 109.345 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.545 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 0.4 OUTLIER -51.68 -40.27 59.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 75.329999999999998 109.334 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.646 ' CD1' HD12 ' A' ' 98' ' ' LEU . 2.2 tm? -55.24 -59.64 4.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 64.129999999999995 109.321 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 1.049 HD11 HD12 ' A' ' 68' ' ' LEU . 16.6 mt -67.33 -15.84 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 73.239999999999995 109.302 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -72.42 -36.98 68.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 61.140000000000001 109.278 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.86 ' HA ' HG12 ' A' ' 3' ' ' VAL . 2.1 t80 -89.13 -48.13 7.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 74.519999999999996 111.006 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.157 HD21 ' CE1' ' A' ' 10' ' ' PHE . 15.1 mt -54.0 -23.75 14.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 61.350000000000001 109.281 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.545 ' HG3' ' CE1' ' A' ' 36' ' ' PHE . 56.2 tttm -82.23 -52.55 6.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 74.099999999999994 109.297 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -63.44 -18.23 63.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.425 1.078 . . . . 72.109999999999999 109.255 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -85.94 -29.59 23.46 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.537 1.148 . . . . 75.140000000000001 109.234 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 98' ' ' LEU . 70.5 p -109.88 19.51 19.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 73.129999999999995 110.354 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -108.69 -31.72 7.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 70.439999999999998 109.353 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 74.299999999999997 110.242 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.801 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.418 ' O ' ' HB1' ' A' ' 96' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.028 -0.829 . . . . 52.200000000000003 111.028 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.62 162.96 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 0.749 . . . . 63.420000000000002 109.27 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.792 HG23 ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -111.28 -41.42 4.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 75.340000000000003 109.309 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -49.87 -52.98 28.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 73.120000000000005 110.319 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.458 ' O ' HD12 ' A' ' 9' ' ' ILE . 7.1 mmmm -53.62 -23.65 11.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 75.510000000000005 109.318 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.17 -21.71 19.48 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.475 1.109 . . . . 72.040000000000006 110.917 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.559 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 18.1 ttpp -74.68 -22.1 59.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 74.430000000000007 109.322 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.531 ' HZ2' ' HB3' ' A' ' 8' ' ' LYS . 1.3 mmmp? -86.98 -43.59 12.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 60.43 109.391 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.568 HG23 ' NZ ' ' A' ' 13' ' ' LYS . 46.3 mt -73.49 -10.32 13.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 74.319999999999993 109.342 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.429 ' O ' ' CA ' ' A' ' 14' ' ' CYS . 11.5 t80 -87.49 -26.46 23.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 72.239999999999995 111.07 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.499 ' O ' ' CB ' ' A' ' 15' ' ' SER . 82.1 mt -84.05 -70.14 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 74.439999999999998 109.333 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.5 mtp -37.94 -30.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 65.420000000000002 110.989 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.568 ' NZ ' HG23 ' A' ' 9' ' ' ILE . 2.6 mttp -102.64 -62.22 1.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 64.409999999999997 109.271 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.429 ' CA ' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -98.22 65.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.589 1.181 . . . . 32.539999999999999 108.32 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.4 p -102.69 132.77 48.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 63.310000000000002 110.063 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 39.95 36.42 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 65.25 110.201 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.82 -47.03 1.39 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 75.409999999999997 108.292 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.584 ' ND1' HD11 ' A' ' 32' ' ' LEU . 6.6 m-70 -106.79 175.12 5.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 64.329999999999998 109.571 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.605 HG21 ' O ' ' A' ' 25' ' ' LYS . 9.6 p -146.98 144.57 29.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 63.549999999999997 110.417 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.8 m -126.37 -44.93 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 62.119999999999997 109.3 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' A' ' 24' ' ' GLY . 3.4 pt-20 -56.48 151.67 12.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 55.240000000000002 110.309 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -59.55 -45.31 92.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 73.140000000000001 109.29 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.26 -5.33 58.97 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.103 . . . . 60.399999999999999 111.003 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.42 ' N ' ' CG ' ' A' ' 21' ' ' GLU . . . -68.26 98.59 0.52 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.025 -0.83 . . . . 42.539999999999999 111.025 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.605 ' O ' HG21 ' A' ' 19' ' ' THR . 0.0 OUTLIER -71.04 162.05 30.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 0.773 . . . . 63.340000000000003 109.291 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -81.67 133.8 35.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 74.519999999999996 109.625 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 mtmm -131.55 -103.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 74.230000000000004 109.284 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.7 m -72.3 -40.63 67.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.565 1.166 . . . . 61.25 110.449 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -127.83 165.07 21.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.587 1.179 . . . . 73.329999999999998 110.997 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.401 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 18.1 Cg_endo -74.96 149.67 37.23 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.504 1.791 . . . . 64.109999999999999 111.017 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -72.49 147.45 46.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 54.229999999999997 109.278 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.777 HD23 HD13 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -116.29 93.88 4.41 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.556 1.16 . . . . 74.540000000000006 109.354 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -106.98 -46.11 4.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 64.430000000000007 109.573 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -102.06 25.57 27.35 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.41 1.069 . . . . 75.209999999999994 111.054 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.777 HD13 HD23 ' A' ' 32' ' ' LEU . 19.5 tp -40.45 -62.28 0.79 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.473 0.749 . . . . 70.129999999999995 109.345 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.649 ' CZ ' ' CB ' ' A' ' 99' ' ' LYS . 13.2 m-85 -79.5 94.38 5.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.069 . . . . 61.409999999999997 110.946 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.17 30.99 2.14 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.458 1.099 . . . . 44.229999999999997 110.969 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.445 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 33.9 ttp180 -144.67 162.65 36.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 0.791 . . . . 74.140000000000001 110.292 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.455 ' HD3' ' CD1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -94.83 -178.28 4.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 65.409999999999997 109.263 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.697 HG22 ' NE1' ' A' ' 59' ' ' TRP . 2.4 p -90.34 141.68 28.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 75.439999999999998 110.388 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.557 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 64.4 66.71 2.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.485 1.116 . . . . 62.5 110.952 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 43' ' ' ALA . 84.6 mm-40 -115.95 -36.12 4.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 74.219999999999999 110.294 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.453 ' CB ' ' OH ' ' A' ' 48' ' ' TYR . . . -39.51 99.91 0.2 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 70.230000000000004 109.307 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.6 Cg_endo -74.96 -0.41 9.92 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.463 1.77 . . . . 70.109999999999999 111.029 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.68 -6.11 35.57 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 63.409999999999997 110.992 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.494 ' O ' ' CE1' ' A' ' 48' ' ' TYR . 18.8 t80 -159.35 112.81 2.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 0.798 . . . . 73.200000000000003 110.987 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.8 p -90.28 139.69 30.41 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.466 1.104 . . . . 74.420000000000002 109.99 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.62 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -99.71 -175.14 2.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 74.5 111.038 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.7 p -55.3 176.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 65.430000000000007 110.394 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.68 12.58 14.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 65.450000000000003 109.336 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.67 -45.35 6.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 73.129999999999995 109.287 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.41 ' O ' ' N ' ' A' ' 55' ' ' LYS . 7.4 t30 -83.79 -47.19 11.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 72.120000000000005 109.288 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -46.44 -35.54 5.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 75.030000000000001 109.296 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -75.62 -39.55 57.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 64.310000000000002 109.331 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 52' ' ' ASN . 9.9 tptt -45.88 140.22 3.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 71.129999999999995 109.303 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.38 77.01 0.33 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.574 1.171 . . . . 74.099999999999994 111.016 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.594 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.4 pp -143.32 151.0 17.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 0.76 . . . . 74.010000000000005 109.321 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.455 ' CD1' ' HD3' ' A' ' 39' ' ' LYS . 2.3 mm -84.82 131.66 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.152 . . . . 71.129999999999995 109.224 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.697 ' NE1' HG22 ' A' ' 40' ' ' THR . 18.9 m95 -77.08 153.9 33.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.546 1.154 . . . . 75.239999999999995 108.018 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.621 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -173.67 -148.75 6.58 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.44 1.088 . . . . 64.099999999999994 111.017 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 65' ' ' MET . 30.0 mt-10 -87.51 -58.18 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 0.783 . . . . 64.129999999999995 110.323 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -58.88 -45.4 90.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 64.109999999999999 109.275 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.408 ' OG1' ' N ' ' A' ' 60' ' ' GLY . 13.7 p -60.51 -27.87 67.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 73.219999999999999 110.419 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.621 HD12 ' O ' ' A' ' 60' ' ' GLY . 77.6 mt -92.85 -19.23 21.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 75.519999999999996 109.325 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.676 ' HE3' HD12 ' A' ' 95' ' ' ILE . 2.4 tpt -68.43 -37.89 80.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 75.319999999999993 110.968 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -84.49 -38.54 19.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 74.209999999999994 110.273 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.609 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 8.0 t80 -60.06 -47.08 87.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 73.530000000000001 110.995 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.418 HD12 HD11 ' A' ' 95' ' ' ILE . 13.0 mt -56.52 -41.52 76.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 71.439999999999998 109.294 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -59.16 -43.1 92.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 72.120000000000005 110.315 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -163.63 88.64 1.2 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 62.350000000000001 109.305 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.609 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.7 Cg_endo -75.01 -7.25 18.98 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.506 1.793 . . . . 74.420000000000002 111.033 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -74.68 -47.85 29.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.086 . . . . 72.430000000000007 109.339 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -43.16 98.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 55.5 109.302 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -56.67 -52.29 65.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 73.430000000000007 111.056 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.432 ' O ' HG22 ' A' ' 78' ' ' THR . 5.7 mt -133.6 88.7 33.15 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 71.040000000000006 109.306 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 110.33 3.1 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.5 1.79 . . . . 75.430000000000007 111.004 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.55 -0.22 13.96 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.501 1.125 . . . . 61.200000000000003 111.025 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 75' ' ' ILE . 1.7 t -61.08 166.41 3.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.788 . . . . 74.510000000000005 110.474 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.488 ' HB2' HMD2 ' A' ' 500' ' ' HEC . 22.7 mtmm -95.69 15.75 19.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 61.340000000000003 109.282 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.533 ' CE ' ' NA ' ' A' ' 500' ' ' HEC . 3.5 tpp -76.53 94.68 3.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 75.049999999999997 111.051 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.482 ' N ' HD12 ' A' ' 81' ' ' ILE . 1.6 mp -58.8 -17.71 11.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.583 1.177 . . . . 73.129999999999995 109.314 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -53.54 169.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 64.530000000000001 110.971 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 84' ' ' GLY . 35.6 m -120.18 -48.5 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 72.200000000000003 109.345 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.436 ' N ' HG23 ' A' ' 83' ' ' VAL . . . 141.29 -179.07 19.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.527 1.142 . . . . 44.210000000000001 110.994 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 8.0 mt -119.68 157.8 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 73.430000000000007 109.328 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.93 -34.64 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 72.239999999999995 109.27 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.418 ' CB ' ' OE1' ' A' ' 90' ' ' GLU . 15.4 mmmt -84.12 111.44 19.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 71.109999999999999 109.319 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -17.24 64.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 73.430000000000007 109.297 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -79.52 -13.57 59.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 73.439999999999998 110.278 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.418 ' OE1' ' CB ' ' A' ' 87' ' ' LYS . 0.6 OUTLIER -99.95 -11.29 20.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 64.239999999999995 110.264 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.8 mtm-85 -90.66 -32.48 16.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 42.25 110.29 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.64 -16.74 59.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 62.140000000000001 109.283 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -93.54 -48.16 6.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 75.329999999999998 109.292 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.834 HD21 HBB3 ' A' ' 500' ' ' HEC . 48.7 tp -55.78 -34.12 64.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 64.129999999999995 109.292 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.676 HD12 ' HE3' ' A' ' 65' ' ' MET . 80.7 mt -79.93 -40.13 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 73.239999999999995 109.281 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 1' ' ' GLY . . . -55.57 -20.65 14.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 61.140000000000001 109.289 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.792 ' CD1' HG23 ' A' ' 3' ' ' VAL . 0.6 OUTLIER -92.87 -58.46 2.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 74.519999999999996 111.013 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.836 ' O ' HG23 ' A' ' 102' ' ' THR . 11.5 mt -51.09 -30.74 16.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 61.350000000000001 109.289 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.649 ' CB ' ' CZ ' ' A' ' 36' ' ' PHE . 11.9 pttp -69.13 -34.21 74.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.593 1.183 . . . . 74.099999999999994 109.368 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -89.08 -16.47 31.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 72.109999999999999 109.355 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.513 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -81.39 -40.12 23.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 75.140000000000001 109.347 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.836 HG23 ' O ' ' A' ' 98' ' ' LEU . 68.2 p -81.63 -29.92 33.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 73.129999999999995 110.374 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -53.22 -55.33 25.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 70.439999999999998 109.273 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 74.299999999999997 110.333 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.834 HBB3 HD21 ' A' ' 94' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.021 -0.832 . . . . 52.200000000000003 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -64.03 167.77 6.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 63.420000000000002 109.29 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.822 HG12 ' HA ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -113.08 -51.34 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 75.340000000000003 109.312 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -41.42 -48.27 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 73.120000000000005 110.283 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.578 ' O ' HD12 ' A' ' 9' ' ' ILE . 6.8 mmtm -52.5 -43.72 65.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 75.510000000000005 109.331 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -81.77 -17.15 71.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.541 1.151 . . . . 72.040000000000006 110.959 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.562 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -80.9 -27.2 36.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 0.753 . . . . 74.430000000000007 109.266 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -85.76 -19.76 30.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 60.43 109.285 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.578 HD12 ' O ' ' A' ' 5' ' ' LYS . 21.8 mt -95.34 -16.25 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 74.319999999999993 109.318 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.638 ' CE1' HG13 ' A' ' 20' ' ' VAL . 12.5 t80 -81.75 -28.2 33.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 72.239999999999995 111.013 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.497 ' O ' ' CB ' ' A' ' 15' ' ' SER . 74.6 mt -82.13 -75.07 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 74.439999999999998 109.289 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.94 -30.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 65.420000000000002 110.974 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.458 ' HD2' HG23 ' A' ' 9' ' ' ILE . 9.4 mtpt -99.34 -66.96 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 64.409999999999997 109.282 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.483 ' HA ' HMC3 ' A' ' 500' ' ' HEC . 0.3 OUTLIER -92.18 62.28 4.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 32.539999999999999 108.213 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 0.5 OUTLIER -98.32 149.08 23.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.113 . . . . 63.310000000000002 110.029 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 38.99 34.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 65.25 110.332 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.47 ' SG ' HG21 ' A' ' 28' ' ' THR . 2.4 m -137.84 -51.84 0.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 75.409999999999997 108.252 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -116.24 147.46 41.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.412 1.07 . . . . 64.329999999999998 109.544 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.698 ' O ' HG22 ' A' ' 20' ' ' VAL . 4.5 p -112.26 -29.66 7.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 63.549999999999997 110.418 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.698 HG22 ' O ' ' A' ' 19' ' ' THR . 9.2 m 49.22 26.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 62.119999999999997 109.291 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -110.93 138.14 47.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 55.240000000000002 110.306 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' HA ' ' CG ' ' A' ' 33' ' ' HIS . 2.1 mtpm? -61.81 -33.07 73.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 73.140000000000001 109.293 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.31 -4.9 43.7 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.516 1.135 . . . . 60.399999999999999 111.034 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.52 176.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.995 -0.842 . . . . 42.539999999999999 110.995 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.415 ' HB3' ' NZ ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -122.52 163.53 19.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.544 0.79 . . . . 63.340000000000003 109.277 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.4 ' CD2' ' N ' ' A' ' 26' ' ' HIS . 3.6 m-70 -90.72 128.61 36.72 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.478 1.111 . . . . 74.519999999999996 109.621 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -125.38 -98.96 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.163 . . . . 74.230000000000004 109.296 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.47 HG21 ' SG ' ' A' ' 17' ' ' CYS . 2.5 m -72.55 -28.59 62.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 61.25 110.405 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -143.35 -173.3 14.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.13 . . . . 73.329999999999998 111.038 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 151.16 39.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.52 1.8 . . . . 64.109999999999999 111.005 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -68.51 129.4 39.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 54.229999999999997 109.285 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.468 ' O ' HG22 ' A' ' 102' ' ' THR . 7.1 mp -86.84 78.4 9.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 74.540000000000006 109.326 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.4 ' CG ' ' HA ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -114.32 -54.36 2.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 64.430000000000007 109.641 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.412 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -102.04 22.56 37.64 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.498 1.124 . . . . 75.209999999999994 111.067 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.404 ' HB3' HG21 ' A' ' 102' ' ' THR . 6.8 tp -42.11 -74.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 70.129999999999995 109.292 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -62.96 111.05 1.99 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 61.409999999999997 110.978 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.96 38.39 4.64 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.519 1.137 . . . . 44.229999999999997 111.007 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.412 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 22.1 ttp180 -151.25 107.1 3.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.461 0.742 . . . . 74.140000000000001 110.336 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.99 167.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 65.409999999999997 109.309 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.1 p -77.11 151.78 35.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 75.439999999999998 110.409 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 52.58 57.83 12.89 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.559 1.162 . . . . 62.5 111.025 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 43' ' ' ALA . 38.8 mm-40 -111.49 -42.82 3.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 74.219999999999999 110.337 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.51 99.87 0.2 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 70.230000000000004 109.3 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -75.0 -6.76 18.46 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.484 1.781 . . . . 70.109999999999999 111.003 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -94.24 -30.15 8.98 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.441 1.088 . . . . 63.409999999999997 110.967 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.403 ' O ' ' CE1' ' A' ' 48' ' ' TYR . 23.1 t80 -140.09 108.8 5.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 0.744 . . . . 73.200000000000003 111.009 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.4 p -78.28 145.87 35.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 74.420000000000002 110.011 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.527 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 2.2 m-30 -97.7 -173.66 2.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 74.5 111.031 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.459 ' CG2' ' HG2' ' A' ' 79' ' ' LYS . 3.1 p -50.93 175.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 65.430000000000007 110.382 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.73 -15.58 32.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.579 1.174 . . . . 65.450000000000003 109.261 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.78 -30.1 18.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 73.129999999999995 109.255 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.588 ' OD1' HD13 ' A' ' 75' ' ' ILE . 1.9 t30 -78.74 -50.91 10.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 72.120000000000005 109.319 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -44.42 -41.56 6.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 75.030000000000001 109.339 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -55.77 -45.97 78.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 64.310000000000002 109.328 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 52' ' ' ASN . 11.6 tptt -47.88 142.19 5.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 71.129999999999995 109.31 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.31 80.38 0.25 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.545 1.153 . . . . 74.099999999999994 110.983 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.8 pp -145.37 169.69 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 0.782 . . . . 74.010000000000005 109.28 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.9 mm -105.5 138.55 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 71.129999999999995 109.285 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -78.16 155.54 30.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 75.239999999999995 107.979 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.585 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -170.46 -158.73 14.87 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.541 1.15 . . . . 64.099999999999994 110.967 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -82.02 -37.8 25.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.76 . . . . 64.129999999999995 110.353 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -75.6 -59.71 2.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 64.109999999999999 109.285 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.401 ' H ' HG23 ' A' ' 63' ' ' THR . 72.5 p -47.74 -26.01 1.43 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 73.219999999999999 110.321 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.585 HD12 ' O ' ' A' ' 60' ' ' GLY . 32.8 mt -87.26 -38.97 15.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 75.519999999999996 109.342 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.1 mmt -57.82 -15.83 9.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 75.319999999999993 110.934 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -107.98 -41.68 4.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 74.209999999999994 110.325 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 14.1 t80 -62.2 -54.38 41.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 73.530000000000001 110.999 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.5 mt -58.42 -27.87 64.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 71.439999999999998 109.307 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -69.75 -32.28 70.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 72.120000000000005 110.249 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 42.4 m-20 -171.31 81.51 0.51 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 62.350000000000001 109.26 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.565 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.04 0.09 9.34 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.497 1.788 . . . . 74.420000000000002 111.013 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.51 -16.36 30.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 72.430000000000007 109.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -102.66 -25.43 13.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 55.5 109.313 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -73.25 -48.88 31.16 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.459 1.099 . . . . 73.430000000000007 110.945 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.588 HD13 ' OD1' ' A' ' 52' ' ' ASN . 5.1 mt -128.96 86.81 56.35 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 71.040000000000006 109.342 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 105.06 2.01 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 75.430000000000007 111.024 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 131.91 -10.69 5.42 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.42 1.075 . . . . 61.200000000000003 111.018 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.548 HG23 ' H ' ' A' ' 80' ' ' MET . 13.0 t -65.39 179.34 0.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 0.779 . . . . 74.510000000000005 110.378 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.459 ' HG2' ' CG2' ' A' ' 49' ' ' THR . 1.6 pttt -121.66 26.89 8.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 61.340000000000003 109.314 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.548 ' H ' HG23 ' A' ' 78' ' ' THR . 1.9 tpp -72.31 73.44 0.97 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.503 1.127 . . . . 75.049999999999997 110.982 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.682 ' O ' HG22 ' A' ' 81' ' ' ILE . 13.6 mt -66.11 81.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 73.129999999999995 109.331 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.517 ' CZ ' ' O ' ' A' ' 83' ' ' VAL . 10.1 t80 -148.78 145.68 27.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 64.530000000000001 111.054 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.517 ' O ' ' CZ ' ' A' ' 82' ' ' PHE . 21.4 m -81.23 148.2 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.572 1.17 . . . . 72.200000000000003 109.342 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -79.08 160.08 46.01 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.498 1.124 . . . . 44.210000000000001 110.95 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.456 HD12 ' HG2' ' A' ' 91' ' ' ARG . 4.1 mt -107.75 155.55 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 73.430000000000007 109.317 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -113.73 -40.36 3.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 72.239999999999995 109.243 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -70.84 148.76 47.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 71.109999999999999 109.324 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 35.1 mmtm -90.71 -44.41 9.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 73.430000000000007 109.236 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -55.15 -46.32 75.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.6 1.188 . . . . 73.439999999999998 110.233 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.09 -30.26 61.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 64.239999999999995 110.358 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.456 ' HG2' HD12 ' A' ' 85' ' ' ILE . 49.0 mtm-85 -83.38 -30.09 27.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 42.25 110.282 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.41 -54.25 31.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 62.140000000000001 109.38 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 96' ' ' ALA . 0.9 OUTLIER -59.15 -56.02 27.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.627 1.204 . . . . 75.329999999999998 109.335 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.572 ' CD1' HD12 ' A' ' 98' ' ' LEU . 2.5 tm? -50.41 -28.47 8.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 64.129999999999995 109.353 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.442 HD12 ' O ' ' A' ' 91' ' ' ARG . 55.3 mt -86.86 -29.05 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.591 1.182 . . . . 73.239999999999995 109.348 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -68.86 -27.33 65.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 61.140000000000001 109.301 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.822 ' HA ' HG12 ' A' ' 3' ' ' VAL . 0.8 OUTLIER -95.21 -29.18 14.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.152 . . . . 74.519999999999996 111.005 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.771 HD11 HMB3 ' A' ' 500' ' ' HEC . 10.9 mt -73.64 -42.52 61.3 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 61.350000000000001 109.275 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -72.96 -16.24 61.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 74.099999999999994 109.284 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -102.48 -15.76 16.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 72.109999999999999 109.246 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 97' ' ' TYR . . . -81.44 -40.36 23.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 75.140000000000001 109.286 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 98' ' ' LEU . 13.8 p -92.15 20.96 5.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.417 1.073 . . . . 73.129999999999995 110.415 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -127.42 -51.41 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 70.439999999999998 109.327 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 74.299999999999997 110.302 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.785 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.016 -0.834 . . . . 52.200000000000003 111.016 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -41.83 153.53 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 0.764 . . . . 63.420000000000002 109.346 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.858 HG12 ' HA ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -112.23 -50.1 5.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 75.340000000000003 109.204 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 3' ' ' VAL . 29.1 mt-10 -38.41 -54.48 1.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 73.120000000000005 110.321 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.6 mmtp -47.12 -46.79 23.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 75.510000000000005 109.304 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.446 ' O ' ' CB ' ' A' ' 10' ' ' PHE . . . -74.91 -23.34 75.02 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 72.040000000000006 110.979 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.552 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 2.1 tppp? -71.84 -36.8 70.29 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.531 0.783 . . . . 74.430000000000007 109.311 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -79.93 -40.35 28.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 60.43 109.322 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.824 HG23 ' CE ' ' A' ' 13' ' ' LYS . 23.2 mt -69.02 -30.93 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 74.319999999999993 109.302 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.554 ' CE1' HG11 ' A' ' 20' ' ' VAL . 21.7 t80 -70.33 -17.04 63.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 72.239999999999995 111.032 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.449 ' O ' ' CB ' ' A' ' 15' ' ' SER . 56.8 mt -84.59 -58.96 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 74.439999999999998 109.277 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.4 mtt -63.99 -12.26 36.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 65.420000000000002 110.881 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.824 ' CE ' HG23 ' A' ' 9' ' ' ILE . 38.3 mttm -112.42 -34.1 5.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 64.409999999999997 109.284 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.495 ' HB2' ' CE1' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -134.39 78.12 1.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 32.539999999999999 108.375 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -115.06 147.64 39.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 63.310000000000002 110.036 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 39.22 38.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 65.25 110.345 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.3 m -137.04 -70.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 75.409999999999997 108.298 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.554 ' HD1' HD23 ' A' ' 32' ' ' LEU . 83.1 m-70 -91.42 159.54 15.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 64.329999999999998 109.629 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.499 ' C ' HG22 ' A' ' 20' ' ' VAL . 6.6 p -113.11 -28.34 7.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 63.549999999999997 110.37 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.554 HG11 ' CE1' ' A' ' 10' ' ' PHE . 28.6 m 46.05 26.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.544 1.153 . . . . 62.119999999999997 109.359 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 19' ' ' THR . 5.3 mt-10 -110.5 136.03 50.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 55.240000000000002 110.277 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.1 tttp -57.71 -39.41 77.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 73.140000000000001 109.259 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.95 -4.09 51.51 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.566 1.166 . . . . 60.399999999999999 110.996 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -46.62 172.57 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.995 -0.842 . . . . 42.539999999999999 110.995 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.441 ' O ' HG21 ' A' ' 19' ' ' THR . 0.1 OUTLIER -123.1 161.14 24.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.767 . . . . 63.340000000000003 109.341 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -76.62 119.94 21.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.446 1.091 . . . . 74.519999999999996 109.649 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -107.79 -95.88 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 74.230000000000004 109.325 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.8 m -80.82 -31.27 35.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 61.25 110.413 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.89 -160.04 8.19 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.515 1.134 . . . . 73.329999999999998 111.032 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.487 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 18.5 Cg_endo -74.95 150.37 38.29 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.533 1.807 . . . . 64.109999999999999 111.031 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -72.34 131.46 42.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 54.229999999999997 109.349 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.554 HD23 ' HD1' ' A' ' 18' ' ' HIS . 1.9 mm? -87.39 81.01 7.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 74.540000000000006 109.246 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -119.36 -56.22 2.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 64.430000000000007 109.617 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.16 58.53 0.6 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.119 . . . . 75.209999999999994 110.972 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.1 tp -75.5 -74.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 70.129999999999995 109.238 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.496 ' CZ ' ' HB2' ' A' ' 99' ' ' LYS . 24.5 m-85 -67.86 120.72 14.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 61.409999999999997 111.03 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.48 30.27 8.75 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 44.229999999999997 110.969 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.3 ttp180 -148.72 158.31 44.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 0.766 . . . . 74.140000000000001 110.328 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.436 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 13.0 mtmt -90.16 -179.49 5.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 65.409999999999997 109.34 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.3 p -87.18 133.18 33.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 75.439999999999998 110.451 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.527 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 71.01 54.22 9.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.557 1.16 . . . . 62.5 110.976 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 43' ' ' ALA . 66.7 mm-40 -107.99 -23.41 12.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 0.709 . . . . 74.219999999999999 110.312 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.539 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -39.54 99.93 0.2 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 70.230000000000004 109.361 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.0 Cg_endo -75.01 58.06 4.78 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 70.109999999999999 110.936 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -176.0 -37.99 0.05 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 63.409999999999997 111.092 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -119.32 123.46 44.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.778 . . . . 73.200000000000003 111.021 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.9 p -101.25 130.9 47.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 74.420000000000002 109.986 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.629 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -91.76 -175.53 4.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 74.5 111.075 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.87 HG23 ' HE2' ' A' ' 79' ' ' LYS . 8.1 p -58.67 179.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 65.430000000000007 110.42 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.64 12.97 15.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 65.450000000000003 109.345 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.58 -47.93 5.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 73.129999999999995 109.327 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.644 ' OD1' HD13 ' A' ' 75' ' ' ILE . 3.2 t30 -85.01 -47.16 10.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 72.120000000000005 109.291 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -46.42 -49.45 18.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 75.030000000000001 109.318 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -60.7 -31.51 70.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 64.310000000000002 109.333 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' ASN . 26.4 tptt -56.04 143.16 33.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 71.129999999999995 109.257 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.34 80.91 0.24 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 74.099999999999994 110.946 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.501 HD13 ' OH ' ' A' ' 74' ' ' TYR . 2.5 pp -145.36 170.51 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 0.737 . . . . 74.010000000000005 109.336 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.5 ' O ' HG21 ' A' ' 63' ' ' THR . 3.7 mm -106.7 137.32 37.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.109 . . . . 71.129999999999995 109.276 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 66.0 m95 -80.22 149.47 30.43 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.989 -1.115 . . . . 75.239999999999995 107.989 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.687 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -176.59 -165.46 32.2 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.469 1.105 . . . . 64.099999999999994 110.992 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.578 ' OE1' HG21 ' A' ' 95' ' ' ILE . 3.7 mm-40 -74.34 -33.29 63.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.796 . . . . 64.129999999999995 110.372 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.61 -55.19 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 64.109999999999999 109.309 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.5 HG21 ' O ' ' A' ' 58' ' ' ILE . 3.6 p -59.77 -49.0 79.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 73.219999999999999 110.413 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.687 HD12 ' O ' ' A' ' 60' ' ' GLY . 22.2 mt -57.52 -52.38 65.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 75.519999999999996 109.247 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.3 mmt -49.89 -21.87 1.31 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 1.164 . . . . 75.319999999999993 111.052 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -99.55 -30.64 12.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 74.209999999999994 110.299 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.53 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 3.5 t80 -73.88 -60.81 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 73.530000000000001 110.987 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.619 HD21 HD12 ' A' ' 94' ' ' LEU . 11.1 mp -44.19 -47.38 9.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.157 . . . . 71.439999999999998 109.321 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -52.0 -43.84 63.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 72.120000000000005 110.273 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -166.16 86.9 0.9 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 62.350000000000001 109.321 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.53 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.93 -0.27 9.73 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.503 1.791 . . . . 74.420000000000002 111.024 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -44.95 17.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 72.430000000000007 109.274 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -42.3 82.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 55.5 109.288 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.501 ' OH ' HD13 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -55.33 -58.46 7.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 73.430000000000007 110.964 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.644 HD13 ' OD1' ' A' ' 52' ' ' ASN . 3.6 mt -130.9 85.05 56.42 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 71.040000000000006 109.337 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.86 135.11 18.91 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.438 1.757 . . . . 75.430000000000007 111.082 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.13 6.9 58.75 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 61.200000000000003 111.082 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.5 t -72.8 168.11 19.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 0.758 . . . . 74.510000000000005 110.415 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.87 ' HE2' HG23 ' A' ' 49' ' ' THR . 23.8 mttm -80.99 -21.11 40.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.153 . . . . 61.340000000000003 109.238 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.47 ' CE ' ' NA ' ' A' ' 500' ' ' HEC . 4.5 tpp -43.01 138.34 2.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 75.049999999999997 110.978 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.401 HG22 ' O ' ' A' ' 81' ' ' ILE . 22.7 mm -116.23 47.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 73.129999999999995 109.3 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.42 ' CE2' ' HA2' ' A' ' 84' ' ' GLY . 11.8 t80 -118.24 148.7 42.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 64.530000000000001 111.037 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.7 m -98.41 -32.03 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 72.200000000000003 109.273 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.42 ' HA2' ' CE2' ' A' ' 82' ' ' PHE . . . 124.32 -179.75 16.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.557 1.16 . . . . 44.210000000000001 111.025 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.4 mt -120.89 138.42 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.754 . . . . 73.430000000000007 109.295 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -94.51 -27.64 15.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 72.239999999999995 109.282 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 40.1 mttp -90.35 107.31 19.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 71.109999999999999 109.293 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.9 tttm -61.75 -33.45 74.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.086 . . . . 73.430000000000007 109.293 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -61.87 -33.65 74.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 73.439999999999998 110.22 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.27 -8.51 57.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 64.239999999999995 110.334 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.438 ' O ' ' CG1' ' A' ' 95' ' ' ILE . 47.7 mtt180 -89.28 -34.06 16.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 42.25 110.264 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 96' ' ' ALA . . . -67.3 -51.35 53.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 62.140000000000001 109.283 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.05 -45.36 95.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 75.329999999999998 109.316 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.622 HD13 HD12 ' A' ' 98' ' ' LEU . 1.9 tm? -64.22 -36.69 84.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 64.129999999999995 109.323 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.578 HG21 ' OE1' ' A' ' 61' ' ' GLU . 68.3 mt -79.78 -16.25 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 73.239999999999995 109.338 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 92' ' ' ALA . . . -74.42 -40.01 62.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 61.140000000000001 109.245 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.858 ' HA ' HG12 ' A' ' 3' ' ' VAL . 1.2 t80 -86.1 -27.34 24.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 74.519999999999996 110.94 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.655 HD11 ' CMB' ' A' ' 500' ' ' HEC . 10.7 mt -73.97 -31.35 62.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 61.350000000000001 109.273 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . 60.2 tttm -83.81 -14.5 51.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 74.099999999999994 109.335 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -107.09 -14.65 14.87 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 72.109999999999999 109.296 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 97' ' ' TYR . . . -77.42 -48.57 16.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 75.140000000000001 109.303 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 31.0 p -88.72 17.83 5.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.411 1.07 . . . . 73.129999999999995 110.366 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -107.97 -40.72 5.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 70.439999999999998 109.274 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 74.299999999999997 110.341 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.79 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.584 ' O ' ' HB1' ' A' ' 96' ' ' ALA . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.972 -0.851 . . . . 52.200000000000003 110.972 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.42 153.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.741 . . . . 63.420000000000002 109.275 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.61 HG23 ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -110.35 -39.72 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 75.340000000000003 109.283 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -51.84 -49.32 63.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.403 1.065 . . . . 73.120000000000005 110.314 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.598 ' O ' HD12 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -58.22 -20.63 43.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 75.510000000000005 109.231 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.19 -22.08 13.88 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.148 . . . . 72.040000000000006 110.986 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.562 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 23.9 tttm -76.71 -25.26 53.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.788 . . . . 74.430000000000007 109.357 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -82.61 -44.64 15.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.611 1.194 . . . . 60.43 109.251 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.748 HG23 ' HE2' ' A' ' 13' ' ' LYS . 22.4 mt -68.45 -37.48 77.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 74.319999999999993 109.34 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.559 ' CE1' HG11 ' A' ' 20' ' ' VAL . 17.3 t80 -59.46 -17.45 31.29 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.103 . . . . 72.239999999999995 111.005 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.472 ' O ' ' CB ' ' A' ' 15' ' ' SER . 17.5 mt -84.27 -60.46 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 74.439999999999998 109.295 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.7 mmm -64.48 -10.6 26.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 65.420000000000002 111.026 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.748 ' HE2' HG23 ' A' ' 9' ' ' ILE . 49.6 mttm -112.79 -36.16 5.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 64.409999999999997 109.355 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.487 ' HB2' ' CD1' ' A' ' 10' ' ' PHE . 1.4 m -133.14 75.7 1.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 32.539999999999999 108.292 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER -111.24 143.9 41.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 63.310000000000002 110.044 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 38.96 36.92 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 65.25 110.261 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 m -134.78 -48.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 75.409999999999997 108.251 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -115.63 129.0 56.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 64.329999999999998 109.609 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.502 ' O ' HG22 ' A' ' 20' ' ' VAL . 25.5 p -83.05 -32.37 26.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 63.549999999999997 110.383 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.559 HG11 ' CE1' ' A' ' 10' ' ' PHE . 36.0 m 46.33 51.29 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 62.119999999999997 109.367 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -128.27 -179.53 5.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 55.240000000000002 110.246 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -78.41 96.47 5.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 73.140000000000001 109.279 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 38.73 53.48 2.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 60.399999999999999 111.034 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.36 -155.39 30.48 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.985 -0.846 . . . . 42.539999999999999 110.985 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.95 -175.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 63.340000000000003 109.255 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -130.53 73.79 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 74.519999999999996 109.588 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' GLY . 24.9 mmmt -53.59 -173.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 74.230000000000004 109.291 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.429 ' O ' HMD3 ' A' ' 500' ' ' HEC . 6.4 m -38.84 -29.92 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.481 1.113 . . . . 61.25 110.375 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . -115.9 164.43 12.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 73.329999999999998 111.073 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 148.72 35.4 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.532 1.806 . . . . 64.109999999999999 110.995 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.529 ' O ' HD23 ' A' ' 32' ' ' LEU . 21.8 t-20 -58.2 144.09 41.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 54.229999999999997 109.295 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.772 HD22 ' CGA' ' A' ' 500' ' ' HEC . 11.4 mt -124.68 83.06 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 74.540000000000006 109.335 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -103.24 -40.25 6.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 64.430000000000007 109.598 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.44 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -101.74 27.76 18.99 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.127 . . . . 75.209999999999994 111.012 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.459 ' CB ' HG21 ' A' ' 102' ' ' THR . 12.5 tp -40.43 -68.55 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 70.129999999999995 109.326 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.542 ' CE2' ' HA ' ' A' ' 99' ' ' LYS . 29.6 m-85 -76.34 95.73 3.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.619 1.2 . . . . 61.409999999999997 110.952 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.22 32.25 1.7 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.584 1.177 . . . . 44.229999999999997 110.961 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.44 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 51.0 ttm-85 -145.28 138.41 26.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 74.140000000000001 110.318 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.456 ' HD3' ' CD1' ' A' ' 58' ' ' ILE . 2.7 mppt? -76.17 -175.24 3.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.455 1.097 . . . . 65.409999999999997 109.268 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.7 p -96.89 124.32 40.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 75.439999999999998 110.369 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.72 64.54 1.37 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.144 . . . . 62.5 110.961 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 44' ' ' PRO . 81.6 mm-40 -123.9 -41.8 2.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 0.794 . . . . 74.219999999999999 110.281 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.474 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . . . -39.52 99.92 0.2 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.085 . . . . 70.230000000000004 109.282 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -75.01 -15.49 20.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.55 1.816 . . . . 70.109999999999999 110.968 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.71 -49.21 6.69 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.568 1.168 . . . . 63.409999999999997 111.005 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -133.55 91.81 2.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 73.200000000000003 111.0 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 64.1 p -64.8 144.42 57.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 74.420000000000002 109.975 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.598 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -87.89 -174.94 4.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 74.5 111.022 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.47 HG23 ' O2D' ' A' ' 500' ' ' HEC . 60.0 p -55.81 175.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 65.430000000000007 110.364 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.434 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -84.9 -15.73 43.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 65.450000000000003 109.323 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.5 -27.82 34.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 73.129999999999995 109.32 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' LYS . 2.0 t30 -87.87 -52.9 5.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 72.120000000000005 109.305 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -41.87 -30.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 75.030000000000001 109.287 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -65.06 -51.89 58.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 64.310000000000002 109.292 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 52' ' ' ASN . 23.1 tptt -40.59 140.44 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 71.129999999999995 109.275 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.59 66.03 0.48 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.547 1.155 . . . . 74.099999999999994 111.027 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.8 pp -133.61 164.25 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 74.010000000000005 109.243 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.456 ' CD1' ' HD3' ' A' ' 39' ' ' LYS . 2.7 mm -92.58 138.67 19.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.466 1.104 . . . . 71.129999999999995 109.334 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -81.51 100.0 9.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.107 . . . . 75.239999999999995 108.03 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -114.91 -167.42 15.48 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.502 1.126 . . . . 64.099999999999994 111.03 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -75.67 -52.59 10.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 0.733 . . . . 64.129999999999995 110.373 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -53.86 -49.24 68.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 64.109999999999999 109.277 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 64.7 p -56.76 -65.83 0.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 73.219999999999999 110.37 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.564 ' O ' HD12 ' A' ' 68' ' ' LEU . 45.5 mt -43.95 -42.35 5.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.577 1.173 . . . . 75.519999999999996 109.316 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.535 ' HE3' ' HB3' ' A' ' 91' ' ' ARG . 3.5 tpt -48.74 -56.84 7.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 75.319999999999993 110.94 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -70.45 -58.2 3.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 74.209999999999994 110.36 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -43.04 -31.91 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.065 . . . . 73.530000000000001 111.033 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 64' ' ' LEU . 10.3 mt -70.79 -50.63 33.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 71.439999999999998 109.3 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -51.28 -32.15 23.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 72.120000000000005 110.359 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -168.01 88.57 0.69 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 62.350000000000001 109.334 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.28 1.24 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.533 1.807 . . . . 74.420000000000002 110.955 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.4 -50.65 51.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 72.430000000000007 109.287 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -60.93 -52.81 63.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 55.5 109.302 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -48.45 -28.94 3.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 73.430000000000007 111.016 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.1 mt -148.41 90.07 5.01 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 71.040000000000006 109.325 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 122.39 7.16 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.433 1.754 . . . . 75.430000000000007 110.988 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.34 3.15 38.3 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 61.200000000000003 110.987 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.4 t -70.77 160.74 32.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 74.510000000000005 110.337 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.405 ' HB2' HMD2 ' A' ' 500' ' ' HEC . 5.0 mtmm -83.02 -39.98 20.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 61.340000000000003 109.269 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.3 ttt -45.06 129.51 7.57 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.487 1.117 . . . . 75.049999999999997 110.991 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mt -109.73 124.16 66.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 73.129999999999995 109.353 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -154.63 176.9 11.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 64.530000000000001 110.956 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.2 m -122.54 -45.72 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 72.200000000000003 109.319 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.11 139.41 5.34 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.577 1.173 . . . . 44.210000000000001 111.011 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 14.8 mt -92.34 145.04 8.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.503 0.766 . . . . 73.430000000000007 109.278 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.82 -63.58 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 72.239999999999995 109.254 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -57.11 110.91 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 71.109999999999999 109.333 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -22.15 66.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 73.430000000000007 109.313 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -64.71 -32.29 73.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 73.439999999999998 110.255 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -77.45 -31.71 54.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 64.239999999999995 110.265 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.535 ' HB3' ' HE3' ' A' ' 65' ' ' MET . 88.6 mtm-85 -74.37 -22.48 59.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 42.25 110.262 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.92 -45.8 23.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 62.140000000000001 109.285 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.73 -51.29 43.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 75.329999999999998 109.243 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.723 HD21 HBB3 ' A' ' 500' ' ' HEC . 65.0 tp -47.23 -38.54 12.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 64.129999999999995 109.302 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.509 HD12 ' O ' ' A' ' 91' ' ' ARG . 81.9 mt -78.17 -42.74 27.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 73.239999999999995 109.35 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.584 ' HB1' ' O ' ' A' ' 1' ' ' GLY . . . -52.45 -22.22 4.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 61.140000000000001 109.28 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.709 ' CE1' ' HB2' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -93.19 -55.66 3.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 74.519999999999996 111.012 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.756 HD11 HMB3 ' A' ' 500' ' ' HEC . 13.9 mt -53.67 -24.65 15.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 61.350000000000001 109.317 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.542 ' HA ' ' CE2' ' A' ' 36' ' ' PHE . 10.9 pttp -76.6 -32.83 58.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 74.099999999999994 109.323 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -90.96 -14.6 31.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 72.109999999999999 109.328 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.709 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -82.61 -48.24 11.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 75.140000000000001 109.297 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 98' ' ' LEU . 41.7 p -81.71 4.47 21.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 73.129999999999995 110.398 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -104.13 -62.08 1.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 70.439999999999998 109.237 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 74.299999999999997 110.294 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.803 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.979 -0.848 . . . . 52.200000000000003 110.979 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -52.08 163.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 63.420000000000002 109.277 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.848 HG12 ' HA ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -114.75 -52.02 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.108 . . . . 75.340000000000003 109.273 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -40.49 -50.91 2.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.622 1.201 . . . . 73.120000000000005 110.336 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -50.44 -44.03 55.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 75.510000000000005 109.258 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -79.37 -20.14 70.05 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.479 1.112 . . . . 72.040000000000006 111.044 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.565 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 15.8 ttpp -76.04 -21.12 57.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.401 0.707 . . . . 74.430000000000007 109.272 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -90.02 -29.55 18.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 60.43 109.286 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.669 HG23 ' CE ' ' A' ' 13' ' ' LYS . 18.7 mt -85.38 -19.28 8.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.163 . . . . 74.319999999999993 109.333 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.472 ' CD1' ' HB2' ' A' ' 14' ' ' CYS . 9.4 t80 -78.1 -25.32 47.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 72.239999999999995 111.073 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.497 ' O ' ' CB ' ' A' ' 15' ' ' SER . 56.8 mt -81.82 -74.4 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 74.439999999999998 109.253 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 34.2 mmm -38.38 -29.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.46 1.1 . . . . 65.420000000000002 111.037 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.669 ' CE ' HG23 ' A' ' 9' ' ' ILE . 34.6 mttm -99.23 -65.63 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 64.409999999999997 109.32 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.54 ' HA ' HMC3 ' A' ' 500' ' ' HEC . 0.2 OUTLIER -92.81 62.22 3.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.088 . . . . 32.539999999999999 108.303 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -101.21 151.55 21.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 63.310000000000002 110.007 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 38.95 30.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 65.25 110.27 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.434 ' HA ' ' CG2' ' A' ' 28' ' ' THR . 2.0 m -132.7 -71.43 0.53 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 75.409999999999997 108.302 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -93.93 155.31 17.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 64.329999999999998 109.591 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.686 ' O ' HG22 ' A' ' 20' ' ' VAL . 56.9 p -117.2 -36.13 3.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 63.549999999999997 110.363 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.701 HG12 ' HB2' ' A' ' 32' ' ' LEU . 8.7 m 49.05 27.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 62.119999999999997 109.266 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.427 ' CG ' ' HB ' ' A' ' 19' ' ' THR . 1.8 pt-20 -131.82 157.62 43.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 55.240000000000002 110.311 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.0 mtmm -90.43 58.98 4.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 73.140000000000001 109.287 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -173.35 -38.84 0.04 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 60.399999999999999 110.973 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.69 84.37 0.15 Allowed Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.025 -0.83 . . . . 42.539999999999999 111.025 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 pttp -41.49 161.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 63.340000000000003 109.279 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.428 ' CE1' ' H ' ' A' ' 31' ' ' ASN . 7.3 m170 -64.02 131.38 47.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 74.519999999999996 109.588 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.63 -85.21 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 74.230000000000004 109.279 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.434 ' CG2' ' HA ' ' A' ' 17' ' ' CYS . 24.2 p -87.92 -34.98 17.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 61.25 110.374 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -136.3 -176.74 14.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.442 1.089 . . . . 73.329999999999998 110.979 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.449 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -75.02 143.34 28.89 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.408 1.741 . . . . 64.109999999999999 110.985 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.565 ' O ' HD22 ' A' ' 32' ' ' LEU . 13.7 t-20 -53.08 161.75 0.78 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.6 1.188 . . . . 54.229999999999997 109.306 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.872 ' O ' HG22 ' A' ' 102' ' ' THR . 2.7 mm? -120.93 72.85 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 74.540000000000006 109.243 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -120.9 -48.67 2.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 64.430000000000007 109.625 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.11 22.88 36.4 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 75.209999999999994 110.965 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.73 ' HB2' HD13 ' A' ' 32' ' ' LEU . 10.9 tp -49.4 -74.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 70.129999999999995 109.316 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.537 ' CE2' ' HG3' ' A' ' 99' ' ' LYS . 8.3 m-85 -54.5 132.56 44.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 61.409999999999997 111.027 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.89 33.32 41.97 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.532 1.145 . . . . 44.229999999999997 111.055 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -145.21 135.83 24.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 0.749 . . . . 74.140000000000001 110.256 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.443 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 6.8 mtmm -73.1 -178.86 3.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 65.409999999999997 109.29 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.0 p -90.06 141.53 28.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 75.439999999999998 110.391 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.417 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 61.99 57.98 14.85 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.565 1.165 . . . . 62.5 111.025 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 44' ' ' PRO . 96.4 mm-40 -115.63 -41.91 3.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 74.219999999999999 110.286 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.44 99.84 0.2 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 70.230000000000004 109.355 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.4 Cg_endo -74.95 -0.62 10.16 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.5 1.79 . . . . 70.109999999999999 111.019 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.12 -46.62 2.8 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 63.409999999999997 111.008 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.443 ' O ' ' CE1' ' A' ' 48' ' ' TYR . 36.9 t80 -125.82 81.61 2.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 0.778 . . . . 73.200000000000003 111.004 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.6 t -56.28 139.49 47.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.58 1.175 . . . . 74.420000000000002 110.005 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.545 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 1.9 m-30 -91.73 -175.99 4.33 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.63 1.206 . . . . 74.5 111.039 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.8 p -62.51 161.26 12.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 65.430000000000007 110.339 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.51 -23.17 66.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 65.450000000000003 109.247 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.94 -70.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 73.129999999999995 109.277 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.96 -42.19 36.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.406 1.066 . . . . 72.120000000000005 109.297 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -48.27 -50.21 30.7 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.414 1.071 . . . . 75.030000000000001 109.244 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -49.14 -55.66 11.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 64.310000000000002 109.265 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.476 ' HE3' ' CE1' ' A' ' 74' ' ' TYR . 4.9 tppt? -43.39 137.79 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 71.129999999999995 109.298 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.25 64.7 0.5 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.567 1.167 . . . . 74.099999999999994 111.029 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.454 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.0 pp -124.87 164.91 22.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.509 0.77 . . . . 74.010000000000005 109.287 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.443 ' CD1' ' HG3' ' A' ' 39' ' ' LYS . 4.1 mm -92.19 142.65 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 71.129999999999995 109.312 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.569 ' CH2' ' CD2' ' A' ' 67' ' ' TYR . 23.1 m95 -86.54 152.15 22.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 75.239999999999995 108.015 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.415 ' C ' ' N ' ' A' ' 62' ' ' ASP . . . 178.12 146.52 6.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.118 . . . . 64.099999999999994 111.031 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.586 ' CB ' ' CG2' ' A' ' 95' ' ' ILE . 1.4 pt-20 -40.18 -29.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 64.129999999999995 110.268 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.415 ' N ' ' C ' ' A' ' 60' ' ' GLY . 0.4 OUTLIER -67.18 -61.93 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 64.109999999999999 109.323 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.9 p -58.93 -26.08 64.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 73.219999999999999 110.369 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.436 HD11 HD21 ' A' ' 35' ' ' LEU . 70.1 mt -73.06 -41.84 63.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 75.519999999999996 109.328 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 34.0 tpp -61.29 -18.42 58.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.075 . . . . 75.319999999999993 111.05 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -107.58 -27.67 10.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 74.209999999999994 110.259 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.637 ' CE1' ' CB ' ' A' ' 71' ' ' PRO . 7.8 t80 -87.59 -10.63 50.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 73.530000000000001 110.997 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.428 ' HA ' HD23 ' A' ' 68' ' ' LEU . 12.9 mt -84.12 -37.45 21.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 71.439999999999998 109.265 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -51.59 -35.55 41.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 72.120000000000005 110.225 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -170.56 82.91 0.55 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 62.350000000000001 109.305 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.637 ' CB ' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -75.04 0.18 9.23 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.582 1.833 . . . . 74.420000000000002 111.038 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -84.87 -18.76 33.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 72.430000000000007 109.302 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -94.81 -52.23 4.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 55.5 109.303 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.476 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 2.9 t80 -41.35 -28.85 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 73.430000000000007 111.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.643 HG22 ' HB ' ' A' ' 78' ' ' THR . 6.5 mt -143.62 90.13 7.2 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 71.040000000000006 109.291 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 119.57 5.7 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.451 1.764 . . . . 75.430000000000007 110.942 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.04 13.27 34.28 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.46 1.1 . . . . 61.200000000000003 110.959 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.643 ' HB ' HG22 ' A' ' 75' ' ' ILE . 13.2 t -81.34 175.02 10.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 74.510000000000005 110.397 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.481 ' HB2' HMD2 ' A' ' 500' ' ' HEC . 3.0 mtmt -96.05 -15.95 21.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 61.340000000000003 109.246 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.538 ' CE ' ' NA ' ' A' ' 500' ' ' HEC . 2.1 tpp -51.77 108.94 0.31 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.144 . . . . 75.049999999999997 110.996 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.437 ' CD1' ' O ' ' A' ' 79' ' ' LYS . 16.5 mm -93.43 69.83 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 73.129999999999995 109.295 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.803 ' CE2' HBB2 ' A' ' 500' ' ' HEC . 5.1 t80 -146.28 128.79 16.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 64.530000000000001 111.032 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.9 m -87.6 -15.69 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 72.200000000000003 109.363 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 97.45 168.14 32.69 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.562 1.164 . . . . 44.210000000000001 111.046 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.485 ' H ' HD12 ' A' ' 85' ' ' ILE . 2.8 mp -99.45 167.95 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.558 0.799 . . . . 73.430000000000007 109.233 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.46 ' N ' HG22 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -105.26 -65.19 1.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.16 . . . . 72.239999999999995 109.317 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -47.05 130.14 12.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.61 1.194 . . . . 71.109999999999999 109.296 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -74.91 -34.29 62.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.568 1.168 . . . . 73.430000000000007 109.269 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -62.49 -43.4 98.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 73.439999999999998 110.266 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.487 ' OE2' HD11 ' A' ' 9' ' ' ILE . 2.6 mm-40 -64.58 -33.9 77.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 64.239999999999995 110.313 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.438 ' NH1' ' O ' ' A' ' 85' ' ' ILE . 52.8 mtm-85 -72.04 -37.27 69.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 42.25 110.275 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.98 -61.71 2.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 62.140000000000001 109.321 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 96' ' ' ALA . 28.0 m-20 -52.6 -53.98 39.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 75.329999999999998 109.272 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.609 HD21 HBB3 ' A' ' 500' ' ' HEC . 58.4 tp -47.78 -39.91 19.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 64.129999999999995 109.352 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.586 ' CG2' ' CB ' ' A' ' 61' ' ' GLU . 65.2 mt -75.99 -30.18 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 73.239999999999995 109.3 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 93' ' ' ASP . . . -66.08 -32.97 74.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 61.140000000000001 109.334 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.848 ' HA ' HG12 ' A' ' 3' ' ' VAL . 0.9 OUTLIER -90.02 -35.64 15.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 74.519999999999996 111.024 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.517 HD11 ' CMB' ' A' ' 500' ' ' HEC . 38.1 mt -63.93 -18.84 64.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 61.350000000000001 109.292 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.537 ' HG3' ' CE2' ' A' ' 36' ' ' PHE . 32.1 tttm -95.4 -52.57 4.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 74.099999999999994 109.328 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -64.38 -15.7 60.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 72.109999999999999 109.284 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 97' ' ' TYR . . . -78.83 -57.18 3.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 75.140000000000001 109.308 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.872 HG22 ' O ' ' A' ' 32' ' ' LEU . 44.7 p -71.74 -20.7 61.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 73.129999999999995 110.41 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -64.22 -65.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 70.439999999999998 109.261 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 74.299999999999997 110.327 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.803 HBB2 ' CE2' ' A' ' 82' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.039 -0.824 . . . . 52.200000000000003 111.039 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -42.43 154.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 0.817 . . . . 63.420000000000002 109.337 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.839 HG12 ' HA ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -113.11 -53.23 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 75.340000000000003 109.311 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -38.43 -57.14 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 73.120000000000005 110.322 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.496 ' O ' HD12 ' A' ' 9' ' ' ILE . 5.0 mptp? -45.16 -45.02 11.24 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 75.510000000000005 109.294 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -73.92 -26.8 68.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 72.040000000000006 110.974 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.552 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 8.5 ttpp -75.41 -20.55 58.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.463 0.743 . . . . 74.430000000000007 109.278 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -94.04 -19.56 20.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 60.43 109.276 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.496 HD12 ' O ' ' A' ' 5' ' ' LYS . 19.8 mt -98.1 -15.4 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 74.319999999999993 109.299 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.622 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 9.1 t80 -84.93 -29.11 25.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 72.239999999999995 110.996 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.494 ' O ' ' CB ' ' A' ' 15' ' ' SER . 84.8 mt -81.63 -69.1 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 74.439999999999998 109.27 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.2 mmt -38.12 -30.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 65.420000000000002 111.012 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.991 ' HZ3' HBB1 ' A' ' 500' ' ' HEC . 4.9 mtpm? -103.36 -67.77 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 64.409999999999997 109.302 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.528 ' HA ' HMC3 ' A' ' 500' ' ' HEC . 0.0 OUTLIER -84.77 60.31 6.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 32.539999999999999 108.285 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -100.54 152.49 20.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 63.310000000000002 110.018 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.403 ' HA ' ' NZ ' ' A' ' 27' ' ' LYS . 16.0 mt-30 39.75 31.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 65.25 110.372 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.7 m -135.1 -67.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 75.409999999999997 108.334 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -97.23 151.03 20.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 64.329999999999998 109.58 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.673 ' O ' HG22 ' A' ' 20' ' ' VAL . 17.4 p -114.08 -32.02 6.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 63.549999999999997 110.334 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 19' ' ' THR . 12.1 m 48.72 27.46 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 62.119999999999997 109.286 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -111.53 154.21 25.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 55.240000000000002 110.28 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -67.86 -55.73 11.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 73.140000000000001 109.292 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.66 -16.88 78.52 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.469 1.106 . . . . 60.399999999999999 110.979 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -39.7 154.0 0.05 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.068 -0.813 . . . . 42.539999999999999 111.068 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.69 163.12 16.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 0.783 . . . . 63.340000000000003 109.347 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.402 ' CD2' ' H ' ' A' ' 26' ' ' HIS . 4.6 m-70 -73.01 121.97 20.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 74.519999999999996 109.562 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.403 ' NZ ' ' HA ' ' A' ' 16' ' ' GLN . 30.0 mtmt -110.45 -101.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 74.230000000000004 109.262 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -74.74 -28.65 60.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 61.25 110.44 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -143.28 -162.76 9.47 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.55 1.156 . . . . 73.329999999999998 110.983 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.409 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.01 152.7 41.02 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.441 1.759 . . . . 64.109999999999999 110.916 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -76.44 135.12 39.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 54.229999999999997 109.321 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.2 mt -94.37 81.19 3.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 74.540000000000006 109.355 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -104.75 -58.53 1.87 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 64.430000000000007 109.597 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.07 37.63 3.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.431 1.082 . . . . 75.209999999999994 111.028 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.591 ' CB ' HG21 ' A' ' 102' ' ' THR . 42.9 tp -41.19 -54.48 2.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 70.129999999999995 109.249 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.553 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 15.0 m-85 -87.01 106.65 17.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 61.409999999999997 110.959 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.55 27.75 5.11 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 44.229999999999997 111.004 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -137.41 124.75 21.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 74.140000000000001 110.311 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -61.92 -174.39 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 65.409999999999997 109.32 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.7 p -94.05 111.63 23.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 75.439999999999998 110.367 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.473 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 88.77 62.15 1.4 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.524 1.14 . . . . 62.5 111.045 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 43' ' ' ALA . 70.4 mm-40 -112.26 -39.73 4.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.41 0.712 . . . . 74.219999999999999 110.352 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.451 ' CB ' ' OH ' ' A' ' 48' ' ' TYR . . . -39.51 99.91 0.2 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 70.230000000000004 109.334 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -74.99 -1.52 11.32 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.519 1.8 . . . . 70.109999999999999 110.998 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.94 -14.7 28.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.465 1.103 . . . . 63.409999999999997 111.034 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -151.02 120.93 7.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 73.200000000000003 111.03 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.0 p -95.67 138.28 33.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 74.420000000000002 109.95 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.621 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -98.24 -174.91 2.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 74.5 111.042 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.0 p -61.3 175.62 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.405 1.066 . . . . 65.430000000000007 110.327 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.426 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -80.86 -15.92 55.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 65.450000000000003 109.282 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.3 -51.49 17.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 73.129999999999995 109.275 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 55' ' ' LYS . 2.5 t30 -73.14 -51.5 17.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 72.120000000000005 109.278 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -47.3 -43.36 22.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 75.030000000000001 109.25 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -61.59 -35.98 79.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 64.310000000000002 109.315 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 52' ' ' ASN . 6.8 tptp -47.08 144.67 2.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.457 1.098 . . . . 71.129999999999995 109.348 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.6 68.48 0.44 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 74.099999999999994 111.014 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.645 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.2 pp -143.39 165.46 14.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.437 0.728 . . . . 74.010000000000005 109.323 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.6 mm -98.25 156.44 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 71.129999999999995 109.296 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -97.69 143.71 28.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 75.239999999999995 108.024 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.553 ' HA2' ' CE2' ' A' ' 36' ' ' PHE . . . -164.19 -153.07 7.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.113 . . . . 64.099999999999994 111.039 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -87.93 -37.94 16.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.471 0.747 . . . . 64.129999999999995 110.353 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -73.69 -49.45 25.7 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 64.109999999999999 109.318 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.6 p -60.53 -27.65 67.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 73.219999999999999 110.353 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 64' ' ' LEU . 19.7 mt -84.31 -39.88 18.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 75.519999999999996 109.329 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.487 ' HE2' ' HB3' ' A' ' 91' ' ' ARG . 3.8 mmt -53.61 -22.99 9.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 75.319999999999993 111.035 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -98.09 -47.73 5.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.11 . . . . 74.209999999999994 110.278 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.56 ' CD1' ' HB3' ' A' ' 71' ' ' PRO . 34.6 t80 -52.41 -41.09 62.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 73.530000000000001 111.049 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.6 mt -72.07 -43.09 65.42 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.557 1.161 . . . . 71.439999999999998 109.288 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -52.48 -39.14 60.87 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.496 1.123 . . . . 72.120000000000005 110.294 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -170.37 82.66 0.57 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 62.350000000000001 109.301 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.56 ' HB3' ' CD1' ' A' ' 67' ' ' TYR . 18.5 Cg_endo -74.9 0.08 9.29 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.779 . . . . 74.420000000000002 111.033 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.498 ' HA ' ' CE ' ' A' ' 72' ' ' LYS . 0.3 OUTLIER -80.34 -30.79 38.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 72.430000000000007 109.322 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -86.94 -34.91 19.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 55.5 109.307 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -59.73 -55.06 39.06 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.515 1.134 . . . . 73.430000000000007 111.006 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.2 mt -134.86 82.1 44.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 71.040000000000006 109.209 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 109.85 3.0 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.476 1.777 . . . . 75.430000000000007 110.931 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.4 -10.28 8.18 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.449 1.093 . . . . 61.200000000000003 111.013 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.1 t -54.47 160.7 1.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 74.510000000000005 110.37 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -78.32 -21.81 49.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.108 . . . . 61.340000000000003 109.271 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.2 ttt -64.89 119.74 11.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 75.049999999999997 110.974 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.3 mm -96.35 116.94 39.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 73.129999999999995 109.307 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.538 ' CZ ' ' HE2' ' A' ' 13' ' ' LYS . 14.5 t80 -172.95 165.93 5.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 64.530000000000001 111.032 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.52 HG23 ' N ' ' A' ' 84' ' ' GLY . 22.0 m -112.09 -52.26 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 72.200000000000003 109.328 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.52 ' N ' HG23 ' A' ' 83' ' ' VAL . . . 143.31 175.65 16.61 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 44.210000000000001 110.976 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.6 mt -110.94 147.21 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 73.430000000000007 109.314 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.87 -54.7 3.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 72.239999999999995 109.255 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.4 mtmm -65.33 113.41 4.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 71.109999999999999 109.269 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -71.61 -24.45 61.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 73.430000000000007 109.252 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -67.74 -42.79 81.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 73.439999999999998 110.262 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -63.44 -24.42 67.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 64.239999999999995 110.257 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.487 ' HB3' ' HE2' ' A' ' 65' ' ' MET . 38.3 mtm180 -73.06 -35.52 66.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 42.25 110.328 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.538 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -63.83 -35.23 79.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 62.140000000000001 109.297 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -76.37 -53.53 8.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 75.329999999999998 109.3 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.705 HD21 HBB3 ' A' ' 500' ' ' HEC . 31.3 tp -56.95 -31.42 64.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 64.129999999999995 109.28 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.417 ' CG1' ' O ' ' A' ' 91' ' ' ARG . 69.6 mt -84.39 -37.35 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 73.239999999999995 109.368 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -63.49 -31.72 72.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.583 1.177 . . . . 61.140000000000001 109.36 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.839 ' HA ' HG12 ' A' ' 3' ' ' VAL . 0.4 OUTLIER -85.75 -31.42 22.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 74.519999999999996 111.006 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.692 HD11 HMB3 ' A' ' 500' ' ' HEC . 12.4 mt -76.68 -27.34 55.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 61.350000000000001 109.279 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.542 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 15.9 pttm -79.11 -31.9 44.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 74.099999999999994 109.268 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -90.44 -25.89 20.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 72.109999999999999 109.358 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 97' ' ' TYR . . . -68.45 -48.31 64.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 75.140000000000001 109.371 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.591 HG21 ' CB ' ' A' ' 35' ' ' LEU . 42.7 p -82.85 6.78 17.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 73.129999999999995 110.477 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -96.74 -51.33 4.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 70.439999999999998 109.274 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 74.299999999999997 110.257 -179.92 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.991 HBB1 ' HZ3' ' A' ' 13' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.983 -0.847 . . . . 52.200000000000003 110.983 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.25 175.57 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 0.791 . . . . 63.420000000000002 109.283 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.805 HG23 ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -110.81 -42.93 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 75.340000000000003 109.303 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.437 ' O ' ' CD ' ' A' ' 8' ' ' LYS . 1.2 mp0 -53.37 -32.81 51.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 73.120000000000005 110.347 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -69.47 -27.74 65.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.396 1.06 . . . . 75.510000000000005 109.298 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.24 -12.87 40.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.444 1.09 . . . . 72.040000000000006 110.93 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.562 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 22.9 tttp -74.44 -35.94 63.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 0.787 . . . . 74.430000000000007 109.312 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.437 ' CD ' ' O ' ' A' ' 4' ' ' GLU . 0.8 OUTLIER -69.2 -43.53 73.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 60.43 109.321 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.1 mt -64.71 -32.55 58.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 74.319999999999993 109.308 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.501 ' CZ ' ' CG1' ' A' ' 20' ' ' VAL . 61.9 t80 -73.0 -23.09 60.59 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.604 1.19 . . . . 72.239999999999995 111.016 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.7 mt -97.23 -9.9 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 74.439999999999998 109.322 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 6.9 mmt -105.4 -6.86 19.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 65.420000000000002 111.037 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -134.04 -66.01 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 64.409999999999997 109.326 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.493 ' HB2' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -88.48 55.79 3.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 32.539999999999999 108.309 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -108.95 156.11 20.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 63.310000000000002 109.956 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 48.39 24.01 0.66 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 65.25 110.301 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.7 m -130.81 -68.4 0.68 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.578 1.174 . . . . 75.409999999999997 108.309 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.765 ' HD1' HD11 ' A' ' 32' ' ' LEU . 80.8 m-70 -86.2 170.3 12.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 64.329999999999998 109.571 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.678 ' O ' HG22 ' A' ' 20' ' ' VAL . 41.2 p -121.32 -41.47 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 63.549999999999997 110.411 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.928 HG12 HD13 ' A' ' 32' ' ' LEU . 9.8 m 48.89 27.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.394 1.059 . . . . 62.119999999999997 109.293 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.414 ' CG ' ' HB ' ' A' ' 19' ' ' THR . 2.4 pt-20 -129.48 164.3 24.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 55.240000000000002 110.345 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -109.61 97.1 6.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.425 1.078 . . . . 73.140000000000001 109.264 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.07 -22.62 2.61 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.576 1.172 . . . . 60.399999999999999 111.023 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.87 149.78 41.84 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.042 -0.823 . . . . 42.539999999999999 111.042 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.5 pttt -73.15 172.99 10.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 0.786 . . . . 63.340000000000003 109.308 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -87.23 83.35 7.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 74.519999999999996 109.643 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -66.76 -167.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 74.230000000000004 109.324 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 p -38.37 -37.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 61.25 110.386 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.98 156.71 15.45 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.496 1.123 . . . . 73.329999999999998 110.972 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.457 ' HD3' ' C2D' ' A' ' 500' ' ' HEC . 18.2 Cg_endo -75.0 152.78 41.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.524 1.802 . . . . 64.109999999999999 110.973 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.436 ' ND2' ' OG1' ' A' ' 19' ' ' THR . 7.2 t-20 -69.72 168.64 14.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 54.229999999999997 109.321 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.928 HD13 HG12 ' A' ' 20' ' ' VAL . 1.3 mp -140.63 107.87 5.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 74.540000000000006 109.339 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.427 ' H ' ' NH2' ' A' ' 38' ' ' ARG . 3.1 t-160 -116.39 -65.99 1.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 64.430000000000007 109.566 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.547 ' H ' HH21 ' A' ' 38' ' ' ARG . . . -102.08 34.16 5.93 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.563 1.165 . . . . 75.209999999999994 111.036 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.618 HD13 HD23 ' A' ' 32' ' ' LEU . 5.6 tp -40.55 -40.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 0.787 . . . . 70.129999999999995 109.276 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.562 ' CE1' ' CB ' ' A' ' 99' ' ' LYS . 12.2 m-85 -90.85 93.95 9.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 61.409999999999997 111.003 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.73 4.04 9.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.454 1.096 . . . . 44.229999999999997 110.936 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.547 HH21 ' H ' ' A' ' 34' ' ' GLY . 8.6 ptp180 -105.49 165.62 11.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 0.774 . . . . 74.140000000000001 110.318 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.859 ' N ' ' HZ2' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -96.18 -177.66 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 65.409999999999997 109.272 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.406 HG21 HG13 ' A' ' 57' ' ' ILE . 4.6 p -91.09 110.06 21.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 75.439999999999998 110.367 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.07 42.51 4.65 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 62.5 111.017 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 44' ' ' PRO . 26.4 mm-40 -94.76 -32.37 13.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 0.776 . . . . 74.219999999999999 110.294 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.51 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -39.39 99.8 0.2 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 70.230000000000004 109.364 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.411 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -74.89 -14.54 21.38 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.509 1.794 . . . . 70.109999999999999 110.995 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -87.32 -7.39 76.52 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.522 1.138 . . . . 63.409999999999997 111.008 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -169.09 113.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 73.200000000000003 110.988 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.2 m -83.36 132.26 35.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 74.420000000000002 110.042 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.51 ' OH ' ' HB2' ' A' ' 43' ' ' ALA . 3.3 m-30 -85.42 178.58 7.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 74.5 110.973 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.8 p -60.92 179.16 0.19 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.494 1.121 . . . . 65.430000000000007 110.375 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.74 9.7 18.08 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.502 1.126 . . . . 65.450000000000003 109.327 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.64 -30.91 12.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.402 1.064 . . . . 73.129999999999995 109.282 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.668 ' OD1' HD13 ' A' ' 75' ' ' ILE . 0.6 OUTLIER -100.62 -40.37 7.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 72.120000000000005 109.281 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -60.17 -43.01 96.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 75.030000000000001 109.314 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 55' ' ' LYS . 51.7 p-10 -63.1 -15.35 56.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 64.310000000000002 109.307 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.449 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 19.9 tptt -73.56 150.53 41.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 71.129999999999995 109.343 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.61 75.54 0.32 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 74.099999999999994 110.97 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.626 ' C ' HD12 ' A' ' 57' ' ' ILE . 1.8 pp -144.75 149.57 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 74.010000000000005 109.239 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.444 HD13 ' HD3' ' A' ' 39' ' ' LYS . 1.9 mm -82.95 124.07 39.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 71.129999999999995 109.27 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.432 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 7.2 m95 -66.74 100.8 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.97 -1.122 . . . . 75.239999999999995 107.97 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -115.16 -158.91 12.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.568 1.167 . . . . 64.099999999999994 111.043 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.441 ' CG ' HG21 ' A' ' 95' ' ' ILE . 3.0 tt0 -89.47 -55.6 3.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 0.803 . . . . 64.129999999999995 110.333 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -54.95 -20.27 8.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 64.109999999999999 109.31 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 41.0 p -80.73 -55.44 4.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 73.219999999999999 110.378 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.408 ' O ' HD13 ' A' ' 68' ' ' LEU . 14.2 mt -54.81 -20.02 7.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 75.519999999999996 109.264 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.2 mmt -65.13 -64.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 75.319999999999993 111.025 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.57 -30.88 71.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 74.209999999999994 110.315 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.423 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 13.1 t80 -62.26 -59.6 4.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 73.530000000000001 110.968 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.672 ' CD2' HD12 ' A' ' 94' ' ' LEU . 8.4 mp -58.46 -28.46 65.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 71.439999999999998 109.303 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -66.23 -39.33 89.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 72.120000000000005 110.302 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -166.48 80.79 1.03 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 62.350000000000001 109.294 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.423 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.97 -2.75 12.95 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.469 1.773 . . . . 74.420000000000002 111.035 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -17.19 56.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 72.430000000000007 109.32 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.35 -36.09 8.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 55.5 109.256 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -62.67 -44.31 96.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 73.430000000000007 111.011 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.668 HD13 ' OD1' ' A' ' 52' ' ' ASN . 6.7 mt -141.52 87.01 10.57 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 71.040000000000006 109.335 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 128.83 11.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 75.430000000000007 111.003 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.16 25.96 20.21 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.551 1.157 . . . . 61.200000000000003 111.006 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 80' ' ' MET . 8.2 t -86.44 161.7 18.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 74.510000000000005 110.406 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.455 ' O ' HMD2 ' A' ' 500' ' ' HEC . 2.5 mtmp? -93.92 30.5 1.83 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 61.340000000000003 109.298 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.404 ' H ' HG23 ' A' ' 78' ' ' THR . 2.8 ttp -114.35 76.56 1.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.183 . . . . 75.049999999999997 111.048 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 81' ' ' ILE . 2.2 tp -52.43 115.54 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 73.129999999999995 109.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -170.66 161.43 7.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 64.530000000000001 110.981 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.1 m -110.1 -32.3 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 72.200000000000003 109.317 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.39 160.72 11.25 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.507 1.129 . . . . 44.210000000000001 111.053 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.4 mt -98.43 143.98 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.74 . . . . 73.430000000000007 109.257 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.412 ' N ' ' CD ' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -97.86 -46.0 6.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 72.239999999999995 109.283 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -60.41 140.99 56.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 71.109999999999999 109.25 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -89.45 -51.61 5.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.586 1.178 . . . . 73.430000000000007 109.27 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -53.31 -36.62 61.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 73.439999999999998 110.287 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -60.8 -29.47 69.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 64.239999999999995 110.29 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 79.1 mtm-85 -86.81 -31.14 21.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 42.25 110.275 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.68 -16.1 62.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 62.140000000000001 109.301 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -105.86 -43.07 4.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 75.329999999999998 109.299 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.672 HD12 ' CD2' ' A' ' 68' ' ' LEU . 2.0 tm? -58.64 -30.64 67.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 64.129999999999995 109.308 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.441 HG21 ' CG ' ' A' ' 61' ' ' GLU . 34.3 mt -85.95 -42.02 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 73.239999999999995 109.287 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.97 -20.93 6.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 61.140000000000001 109.327 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.805 ' CD1' HG23 ' A' ' 3' ' ' VAL . 0.2 OUTLIER -92.78 -60.5 1.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 74.519999999999996 110.96 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.784 HD21 HG11 ' A' ' 20' ' ' VAL . 12.3 mt -49.62 -29.09 6.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 61.350000000000001 109.274 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.562 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 11.7 pttp -72.23 -35.95 69.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 74.099999999999994 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 97' ' ' TYR . 45.7 tttm -86.54 -15.39 40.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 72.109999999999999 109.256 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.663 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -89.17 -16.0 32.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 75.140000000000001 109.323 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 98' ' ' LEU . 64.3 p -119.76 36.9 4.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 73.129999999999995 110.396 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -128.11 -46.54 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 70.439999999999998 109.328 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 74.299999999999997 110.279 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.801 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.483 ' O ' ' HB1' ' A' ' 96' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.971 -0.852 . . . . 52.200000000000003 110.971 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -42.72 154.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 63.420000000000002 109.348 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.609 HG23 ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -116.2 -52.82 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.589 1.181 . . . . 75.340000000000003 109.312 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -38.01 -56.87 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 73.120000000000005 110.251 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -46.93 -46.58 21.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 75.510000000000005 109.264 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -73.02 -23.85 77.04 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 72.040000000000006 111.035 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.563 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 16.0 tttm -71.3 -24.03 62.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 74.430000000000007 109.299 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -88.6 -39.84 13.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 60.43 109.306 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.862 HG23 ' HE2' ' A' ' 13' ' ' LYS . 38.3 mt -73.49 -29.4 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.591 1.182 . . . . 74.319999999999993 109.314 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.446 ' CZ ' ' CG1' ' A' ' 20' ' ' VAL . 12.2 t80 -68.04 -21.94 64.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.416 1.073 . . . . 72.239999999999995 110.981 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.596 HG23 ' HB2' ' A' ' 15' ' ' SER . 90.0 mt -85.71 -63.3 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 74.439999999999998 109.299 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -52.3 -20.1 2.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 65.420000000000002 110.972 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.862 ' HE2' HG23 ' A' ' 9' ' ' ILE . 30.7 mttm -107.04 -43.0 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 64.409999999999997 109.277 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -126.34 75.89 1.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 32.539999999999999 108.357 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.596 ' HB2' HG23 ' A' ' 11' ' ' ILE . 1.7 t -116.0 151.88 34.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 63.310000000000002 110.052 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 45.45 33.3 1.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 65.25 110.289 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.4 m -139.24 -59.28 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 75.409999999999997 108.29 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.66 ' HD1' HD11 ' A' ' 32' ' ' LEU . 75.4 m-70 -102.51 129.56 49.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.147 . . . . 64.329999999999998 109.554 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.498 ' O ' HG22 ' A' ' 20' ' ' VAL . 15.0 p -91.55 -29.6 16.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 63.549999999999997 110.412 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.894 HG12 HD13 ' A' ' 32' ' ' LEU . 35.9 m 46.43 29.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.41 1.069 . . . . 62.119999999999997 109.272 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -95.85 -175.1 3.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 55.240000000000002 110.302 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -104.82 -24.81 12.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 73.140000000000001 109.29 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -138.07 13.58 3.57 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.444 1.09 . . . . 60.399999999999999 111.052 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.27 134.09 31.06 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.988 -0.845 . . . . 42.539999999999999 110.988 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.75 176.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 0.749 . . . . 63.340000000000003 109.282 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -98.95 77.67 2.22 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.483 1.114 . . . . 74.519999999999996 109.622 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -64.96 -167.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 74.230000000000004 109.231 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 p -38.4 -34.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 61.25 110.399 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -115.53 155.79 16.07 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.519 1.137 . . . . 73.329999999999998 111.042 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.87 154.0 42.86 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.451 1.763 . . . . 64.109999999999999 111.057 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -75.53 161.36 29.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 54.229999999999997 109.279 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.894 HD13 HG12 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -132.68 103.0 5.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 74.540000000000006 109.332 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -114.12 -55.75 2.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 64.430000000000007 109.626 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.03 30.67 9.91 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.518 1.136 . . . . 75.209999999999994 110.991 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.764 ' HB3' HG21 ' A' ' 102' ' ' THR . 17.4 tp -42.0 -75.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.777 . . . . 70.129999999999995 109.318 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.61 ' CD2' ' NZ ' ' A' ' 99' ' ' LYS . 77.5 m-85 -64.53 114.22 4.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 61.409999999999997 110.959 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.62 29.06 7.58 Favored Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.512 1.133 . . . . 44.229999999999997 110.99 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -146.47 153.75 40.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 74.140000000000001 110.335 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -81.73 174.11 11.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 65.409999999999997 109.237 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 45.6 p -84.93 148.5 26.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 75.439999999999998 110.392 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.563 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 62.68 45.5 95.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.123 . . . . 62.5 110.986 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 43' ' ' ALA . 64.8 mm-40 -97.22 -35.14 10.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 0.786 . . . . 74.219999999999999 110.313 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.59 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -39.51 99.94 0.2 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 70.230000000000004 109.33 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.0 Cg_endo -75.08 -1.19 10.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 70.109999999999999 110.96 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.04 -24.11 12.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 63.409999999999997 111.058 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -154.6 112.13 3.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.559 0.799 . . . . 73.200000000000003 110.976 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.4 p -76.35 140.77 41.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 74.420000000000002 109.966 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.59 ' OH ' ' HB2' ' A' ' 43' ' ' ALA . 3.2 m-30 -91.36 -177.12 4.75 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.569 1.168 . . . . 74.5 111.007 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.565 HG23 ' HE2' ' A' ' 79' ' ' LYS . 5.7 p -53.73 174.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 65.430000000000007 110.376 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.29 -16.14 56.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 65.450000000000003 109.319 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.28 -58.94 2.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 73.129999999999995 109.318 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -38.13 75.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 72.120000000000005 109.265 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -66.02 -31.84 72.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 75.030000000000001 109.332 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.537 ' N ' HD22 ' A' ' 54' ' ' ASN . 1.2 m-80 -90.61 16.06 9.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 64.310000000000002 109.2 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 57' ' ' ILE . 9.4 tptp -102.66 48.65 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 71.129999999999995 109.296 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.73 85.39 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.46 1.1 . . . . 74.099999999999994 111.031 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 55' ' ' LYS . 2.2 pp -150.39 138.1 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 74.010000000000005 109.294 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.485 ' O ' HG21 ' A' ' 63' ' ' THR . 6.9 mm -70.99 135.64 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 71.129999999999995 109.357 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -76.54 164.28 26.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 75.239999999999995 107.971 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.53 ' C ' HD12 ' A' ' 64' ' ' LEU . . . 170.31 175.72 39.32 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.466 1.104 . . . . 64.099999999999994 110.994 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.467 ' HG3' ' CE ' ' A' ' 99' ' ' LYS . 42.3 mt-10 -60.48 -31.67 70.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 0.791 . . . . 64.129999999999995 110.308 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -73.05 -64.45 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 64.109999999999999 109.207 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.485 HG21 ' O ' ' A' ' 58' ' ' ILE . 49.7 p -54.1 -29.33 44.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 73.219999999999999 110.372 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.53 HD12 ' C ' ' A' ' 60' ' ' GLY . 18.8 mt -75.49 -47.36 27.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.589 1.18 . . . . 75.519999999999996 109.271 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.9 mmt -45.1 -58.67 3.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 75.319999999999993 110.932 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 69' ' ' GLU . 0.5 OUTLIER -66.87 -59.62 3.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 74.209999999999994 110.275 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.438 ' CB ' ' O ' ' A' ' 63' ' ' THR . 55.9 t80 -41.05 -31.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 73.530000000000001 110.982 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.417 ' CD1' HD11 ' A' ' 95' ' ' ILE . 11.9 mt -79.73 -46.88 16.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.112 . . . . 71.439999999999998 109.283 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 66' ' ' GLU . 33.6 tt0 -49.6 -29.11 6.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 72.120000000000005 110.243 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -173.62 90.31 0.36 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 62.350000000000001 109.262 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 -4.9 16.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.496 1.788 . . . . 74.420000000000002 111.001 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -89.69 -18.58 26.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 72.430000000000007 109.318 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.453 ' N ' ' CD ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -98.71 -24.38 15.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 55.5 109.282 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -82.99 -32.27 27.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 73.430000000000007 110.979 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.422 HG22 ' HB ' ' A' ' 78' ' ' THR . 3.1 mt -139.4 88.85 12.46 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 71.040000000000006 109.343 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 122.61 7.32 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.5 1.789 . . . . 75.430000000000007 111.021 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.84 30.97 8.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.597 1.186 . . . . 61.200000000000003 111.011 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.489 ' HG1' ' CGD' ' A' ' 500' ' ' HEC . 8.8 t -98.78 166.14 11.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 0.794 . . . . 74.510000000000005 110.36 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.565 ' HE2' HG23 ' A' ' 49' ' ' THR . 16.6 mttm -82.34 -18.69 41.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.593 1.183 . . . . 61.340000000000003 109.334 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.413 ' HB2' HG23 ' A' ' 78' ' ' THR . 63.3 mmm -48.29 106.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 75.049999999999997 111.025 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.547 ' O ' HG22 ' A' ' 81' ' ' ILE . 17.5 mt -105.49 90.38 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 73.129999999999995 109.314 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.403 ' CZ ' ' O ' ' A' ' 83' ' ' VAL . 43.3 t80 -174.59 147.55 1.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 64.530000000000001 110.989 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.403 ' O ' ' CZ ' ' A' ' 82' ' ' PHE . 27.2 m -93.86 136.51 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 72.200000000000003 109.303 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -45.0 159.0 0.17 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 44.210000000000001 110.931 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.6 mt -87.64 156.29 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 0.752 . . . . 73.430000000000007 109.292 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -96.44 -48.18 5.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 72.239999999999995 109.295 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -67.6 146.16 54.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 71.109999999999999 109.245 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -89.81 -38.79 13.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 73.430000000000007 109.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 92' ' ' ALA . 32.1 tt0 -64.68 -47.23 79.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 73.439999999999998 110.291 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.458 ' CG ' HD13 ' A' ' 9' ' ' ILE . 13.1 tt0 -49.06 -27.31 3.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 64.239999999999995 110.331 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -85.18 -30.36 23.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 42.25 110.26 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 89' ' ' GLU . . . -67.35 -42.61 83.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 62.140000000000001 109.27 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -71.4 -54.54 10.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 75.329999999999998 109.312 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.4 ' CD1' ' HB2' ' A' ' 10' ' ' PHE . 48.0 tp -46.06 -44.77 15.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 64.129999999999995 109.289 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.417 HD11 ' CD1' ' A' ' 68' ' ' LEU . 73.6 mt -69.74 -51.69 38.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 73.239999999999995 109.256 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.483 ' HB1' ' O ' ' A' ' 1' ' ' GLY . . . -40.58 -43.28 1.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 61.140000000000001 109.308 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.717 ' CE1' ' HB2' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -69.4 -64.36 0.89 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.487 1.117 . . . . 74.519999999999996 111.058 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.564 ' O ' HG23 ' A' ' 102' ' ' THR . 12.1 mt -40.58 -29.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 61.350000000000001 109.246 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.61 ' NZ ' ' CD2' ' A' ' 36' ' ' PHE . 33.9 mttm -65.96 -54.34 27.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 74.099999999999994 109.331 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 97' ' ' TYR . 32.7 tttt -72.22 -15.32 61.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 72.109999999999999 109.294 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.717 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -73.98 -57.12 4.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 75.140000000000001 109.356 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.764 HG21 ' HB3' ' A' ' 35' ' ' LEU . 28.3 p -77.83 0.64 23.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 73.129999999999995 110.413 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -75.68 -31.07 59.59 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 70.439999999999998 109.255 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.401 1.063 . . . . 74.299999999999997 110.33 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.788 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.109 -0.797 . . . . 52.200000000000003 111.109 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.409 ' CB ' ' HE2' ' A' ' 5' ' ' LYS . 1.0 OUTLIER -56.86 165.21 1.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.759 . . . . 63.420000000000002 109.299 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.885 HG12 ' HA ' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -117.26 -52.94 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 75.340000000000003 109.24 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -41.82 -50.02 4.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 73.120000000000005 110.215 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.409 ' HE2' ' CB ' ' A' ' 2' ' ' ASP . 1.1 mppt? -53.51 -41.65 66.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.587 1.18 . . . . 75.510000000000005 109.283 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -81.74 -16.87 71.87 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.594 1.184 . . . . 72.040000000000006 111.021 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.559 ' CD ' ' CZ ' ' A' ' 97' ' ' TYR . 10.5 tptm -76.05 -47.18 25.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 0.782 . . . . 74.430000000000007 109.231 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -65.13 -37.46 87.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 60.43 109.282 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.454 ' CG2' ' HD2' ' A' ' 13' ' ' LYS . 71.9 mt -66.14 -49.75 73.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 74.319999999999993 109.31 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.515 ' CD1' HD21 ' A' ' 98' ' ' LEU . 52.1 t80 -60.14 -39.76 87.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 72.239999999999995 111.006 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.432 ' CD1' ' HG3' ' A' ' 7' ' ' LYS . 75.5 mt -73.76 -10.48 13.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.581 1.176 . . . . 74.439999999999998 109.249 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.4 mtt -113.41 -4.61 13.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 65.420000000000002 110.933 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.454 ' HD2' ' CG2' ' A' ' 9' ' ' ILE . 36.5 mttm -123.7 -56.36 1.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 64.409999999999997 109.305 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -121.05 77.03 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 32.539999999999999 108.258 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.403 ' OG ' ' HA ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -124.26 6.85 8.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 63.310000000000002 109.98 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -116.82 -35.77 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 65.25 110.289 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.503 ' SG ' HG21 ' A' ' 28' ' ' THR . 89.0 m -95.74 -81.68 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 75.409999999999997 108.275 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.616 ' HB3' HD13 ' A' ' 32' ' ' LEU . 96.7 m-70 -64.66 143.08 58.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 64.329999999999998 109.608 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.703 ' O ' HG22 ' A' ' 20' ' ' VAL . 41.7 p -115.62 -33.57 5.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 63.549999999999997 110.457 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.911 HG11 ' CD2' ' A' ' 98' ' ' LEU . 6.4 m 49.51 28.27 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 62.119999999999997 109.348 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -132.81 137.37 46.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.073 . . . . 55.240000000000002 110.337 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.9 pttt -63.08 -40.26 97.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 73.140000000000001 109.333 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.69 -13.16 37.73 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.447 1.092 . . . . 60.399999999999999 110.98 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.29 170.57 25.97 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.97 -0.852 . . . . 42.539999999999999 110.97 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -132.26 -174.03 3.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.749 . . . . 63.340000000000003 109.303 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.5 ' CD2' ' HB2' ' A' ' 31' ' ' ASN . 4.1 m170 -84.94 128.86 34.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 74.519999999999996 109.551 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.8 mtmm -131.31 -97.05 0.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 74.230000000000004 109.334 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.503 HG21 ' SG ' ' A' ' 17' ' ' CYS . 5.7 m -69.97 -33.43 72.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 61.25 110.419 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.01 -170.57 12.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.419 1.074 . . . . 73.329999999999998 111.029 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 150.04 37.76 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.55 1.816 . . . . 64.109999999999999 111.078 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.5 ' HB2' ' CD2' ' A' ' 26' ' ' HIS . 12.2 t-20 -79.6 118.3 21.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 54.229999999999997 109.243 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.893 HD22 HD22 ' A' ' 98' ' ' LEU . 2.4 mp -65.83 75.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 74.540000000000006 109.278 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' ASN . 79.1 t60 -110.03 -68.21 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 64.430000000000007 109.577 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.09 25.47 27.7 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.535 1.147 . . . . 75.209999999999994 110.981 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.937 HD13 ' O2A' ' A' ' 500' ' ' HEC . 7.5 tp -40.48 -75.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 0.743 . . . . 70.129999999999995 109.28 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.591 ' CD1' ' HA ' ' A' ' 99' ' ' LYS . 14.0 m-85 -64.71 156.7 29.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.45 1.094 . . . . 61.409999999999997 110.973 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.04 0.72 66.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.483 1.114 . . . . 44.229999999999997 110.957 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.9 ttm-85 -123.79 162.31 23.46 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 0.784 . . . . 74.140000000000001 110.292 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.475 ' CD ' HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -84.44 178.59 7.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 65.409999999999997 109.292 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.1 p -84.45 117.05 23.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 75.439999999999998 110.415 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.539 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 81.56 54.72 3.4 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.119 . . . . 62.5 110.946 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 43' ' ' ALA . 78.9 mm-40 -109.17 -32.21 7.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 74.219999999999999 110.355 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.509 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -39.63 99.97 0.21 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 70.230000000000004 109.276 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.401 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.0 Cg_endo -75.02 -1.04 10.71 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.506 1.793 . . . . 70.109999999999999 110.994 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.84 -40.35 3.6 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 63.409999999999997 111.009 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.582 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 11.9 t80 -129.5 85.27 2.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 0.764 . . . . 73.200000000000003 110.995 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.5 m -60.87 123.11 16.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 74.420000000000002 110.06 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 46' ' ' TYR . 2.2 m-30 -79.76 -174.65 4.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 74.5 110.976 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.4 p -67.73 -175.48 0.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 65.430000000000007 110.405 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.77 13.63 17.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 65.450000000000003 109.297 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.54 -56.52 2.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 73.129999999999995 109.272 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.495 ' OD1' ' CD1' ' A' ' 75' ' ' ILE . 1.0 OUTLIER -79.77 -29.67 40.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 72.120000000000005 109.339 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -68.89 -16.47 63.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 75.030000000000001 109.391 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -75.23 -43.49 51.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 64.310000000000002 109.301 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -49.95 158.62 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 71.129999999999995 109.29 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.63 14.47 2.45 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 74.099999999999994 110.986 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.504 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.0 pp -92.86 164.87 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.743 . . . . 74.010000000000005 109.319 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.475 HD11 ' CD ' ' A' ' 39' ' ' LYS . 3.1 mm -91.0 144.46 9.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 71.129999999999995 109.327 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.411 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 7.3 m95 -79.55 116.75 19.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.605 1.19 . . . . 75.239999999999995 108.004 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.516 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -132.02 -175.88 14.18 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.598 1.187 . . . . 64.099999999999994 110.928 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -72.66 -26.15 61.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 0.775 . . . . 64.129999999999995 110.253 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -71.94 -69.16 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 64.109999999999999 109.229 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.459 HG21 HD13 ' A' ' 57' ' ' ILE . 66.4 p -45.35 -43.3 10.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 73.219999999999999 110.329 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.545 HD21 ' CMA' ' A' ' 500' ' ' HEC . 42.7 mt -65.09 -55.1 20.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 75.519999999999996 109.271 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 31.9 tpp -46.88 -28.12 1.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 75.319999999999993 111.02 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -95.51 -23.72 16.97 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 74.209999999999994 110.289 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.601 ' CE1' ' CB ' ' A' ' 71' ' ' PRO . 18.0 t80 -73.33 -56.08 5.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 73.530000000000001 110.974 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -46.82 -40.55 13.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 71.439999999999998 109.35 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -53.78 -46.41 71.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 72.120000000000005 110.331 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -161.07 79.47 2.23 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 62.350000000000001 109.259 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.601 ' CB ' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.97 0.27 9.09 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.551 1.816 . . . . 74.420000000000002 111.054 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -86.14 -20.43 28.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 72.430000000000007 109.273 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.2 pttp -95.36 -42.99 8.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 55.5 109.296 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -49.78 -42.79 47.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 73.430000000000007 111.041 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.495 ' CD1' ' OD1' ' A' ' 52' ' ' ASN . 8.6 mt -137.13 89.68 16.32 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.633 1.208 . . . . 71.040000000000006 109.264 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.04 3.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.522 1.801 . . . . 75.430000000000007 110.969 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.58 7.87 13.15 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 61.200000000000003 111.02 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.4 t -75.88 164.73 25.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 0.805 . . . . 74.510000000000005 110.426 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -88.05 -15.77 35.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 61.340000000000003 109.302 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.468 ' CE ' ' NB ' ' A' ' 500' ' ' HEC . 1.3 tpt -43.67 140.38 1.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 75.049999999999997 111.001 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.414 ' N ' ' HG3' ' A' ' 80' ' ' MET . 12.3 mm -125.09 107.22 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 73.129999999999995 109.367 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -170.84 176.06 4.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 64.530000000000001 110.955 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.538 HG23 ' N ' ' A' ' 84' ' ' GLY . 23.7 m -116.27 -53.49 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.447 1.092 . . . . 72.200000000000003 109.322 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.538 ' N ' HG23 ' A' ' 83' ' ' VAL . . . 136.32 155.22 7.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.11 . . . . 44.210000000000001 110.993 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.425 ' O ' ' NH1' ' A' ' 91' ' ' ARG . 18.5 mt -98.55 151.69 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 73.430000000000007 109.327 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -92.36 -68.12 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 72.239999999999995 109.267 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.441 ' O ' ' NH1' ' A' ' 91' ' ' ARG . 34.4 mtpt -45.85 150.12 0.57 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 71.109999999999999 109.302 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -87.69 -56.23 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 73.430000000000007 109.275 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -56.83 -36.38 69.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 73.439999999999998 110.346 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.448 ' HG2' HD13 ' A' ' 9' ' ' ILE . 18.0 tt0 -55.24 -18.61 6.39 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.522 1.139 . . . . 64.239999999999995 110.365 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.464 ' O ' ' CG1' ' A' ' 95' ' ' ILE . 77.0 mtm-85 -98.75 -31.23 11.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 42.25 110.252 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' ' 96' ' ' ALA . . . -67.76 -17.94 64.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 62.140000000000001 109.288 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -91.05 -53.84 4.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 75.329999999999998 109.271 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 10' ' ' PHE . 19.0 tp -61.2 -30.5 70.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 64.129999999999995 109.379 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.464 ' CG1' ' O ' ' A' ' 91' ' ' ARG . 61.7 mt -83.43 -13.59 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 73.239999999999995 109.317 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' A' ' 92' ' ' ALA . . . -86.63 -37.85 17.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 61.140000000000001 109.282 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.885 ' HA ' HG12 ' A' ' 3' ' ' VAL . 0.6 OUTLIER -81.41 -35.15 31.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 74.519999999999996 110.988 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.911 ' CD2' HG11 ' A' ' 20' ' ' VAL . 20.4 mt -72.42 -33.97 67.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.415 1.072 . . . . 61.350000000000001 109.316 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.591 ' HA ' ' CD1' ' A' ' 36' ' ' PHE . 14.0 pttp -76.17 -32.95 59.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 74.099999999999994 109.216 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.8 ttpp -86.63 -23.39 25.7 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.476 1.11 . . . . 72.109999999999999 109.234 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.564 ' HB2' ' O ' ' A' ' 97' ' ' TYR . . . -69.89 -28.26 65.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 75.140000000000001 109.278 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.659 HG21 ' HB3' ' A' ' 35' ' ' LEU . 35.2 p -104.24 13.66 31.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 73.129999999999995 110.362 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -104.84 -47.28 4.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 70.439999999999998 109.262 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 74.299999999999997 110.3 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.937 ' O2A' HD13 ' A' ' 35' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.012 -0.835 . . . . 52.200000000000003 111.012 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -75.5 -179.41 4.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 0.73 . . . . 63.420000000000002 109.276 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.709 HG23 ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -110.34 -50.78 6.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.541 1.151 . . . . 75.340000000000003 109.214 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -47.56 -37.71 12.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 73.120000000000005 110.322 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.668 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.2 mptm? -64.74 -34.79 79.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 75.510000000000005 109.326 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -91.38 -11.32 61.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.456 1.098 . . . . 72.040000000000006 110.958 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.576 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 18.1 tttt -76.29 -22.09 55.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.413 0.714 . . . . 74.430000000000007 109.24 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -93.74 -22.3 18.8 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.554 1.158 . . . . 60.43 109.348 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.668 HD12 ' O ' ' A' ' 5' ' ' LYS . 13.9 mt -91.12 -16.78 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 74.319999999999993 109.298 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.69 ' CE1' HD21 ' A' ' 98' ' ' LEU . 19.7 t80 -84.6 -27.68 27.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 72.239999999999995 111.063 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 15' ' ' SER . 46.8 mt -83.93 -68.63 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 74.439999999999998 109.334 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' ILE . 40.7 mmm -37.81 -30.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 65.420000000000002 110.973 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.532 ' HZ3' HG12 ' A' ' 85' ' ' ILE . 10.2 mtpp -101.93 -61.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 64.409999999999997 109.292 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.401 ' HA ' HMC3 ' A' ' 500' ' ' HEC . 1.6 m -100.03 66.76 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 32.539999999999999 108.259 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.5 t -105.6 144.69 32.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 63.310000000000002 109.969 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 15' ' ' SER . 82.8 mt-30 38.96 34.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 65.25 110.286 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.0 m -133.46 -69.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 75.409999999999997 108.305 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.576 ' HD1' HD13 ' A' ' 32' ' ' LEU . 41.2 m-70 -98.33 112.03 24.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 64.329999999999998 109.597 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 p -87.58 162.84 16.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.419 1.075 . . . . 63.549999999999997 110.434 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.501 ' CG1' ' CZ ' ' A' ' 10' ' ' PHE . 1.5 m -136.16 15.83 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 62.119999999999997 109.27 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -92.82 140.52 29.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 55.240000000000002 110.296 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.465 ' HG2' ' CE1' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -56.25 -59.07 5.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.444 1.09 . . . . 73.140000000000001 109.295 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.09 -11.6 84.71 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.504 1.127 . . . . 60.399999999999999 111.003 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -42.57 142.85 1.44 Allowed Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.014 -0.834 . . . . 42.539999999999999 111.014 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.4 pttt -107.54 163.25 13.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 63.340000000000003 109.292 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.45 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 80.7 m-70 -72.72 121.37 19.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 74.519999999999996 109.563 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -100.93 -100.02 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 74.230000000000004 109.308 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.0 m -85.89 -14.45 44.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 61.25 110.415 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -159.53 -167.83 20.71 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.465 1.103 . . . . 73.329999999999998 110.934 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 148.72 35.85 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 64.109999999999999 111.02 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -84.04 129.32 34.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 54.229999999999997 109.303 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.759 ' O ' HG22 ' A' ' 102' ' ' THR . 0.5 OUTLIER -89.03 81.73 6.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.403 1.064 . . . . 74.540000000000006 109.303 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.465 ' CE1' ' HG2' ' A' ' 22' ' ' LYS . 22.7 t60 -105.45 -53.9 2.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 64.430000000000007 109.613 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' LEU . . . -102.03 32.44 7.53 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.55 1.156 . . . . 75.209999999999994 110.966 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.447 HD13 ' HG ' ' A' ' 32' ' ' LEU . 49.3 tp -40.46 -75.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.754 . . . . 70.129999999999995 109.345 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -60.29 109.53 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 61.409999999999997 110.985 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.23 38.3 4.08 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.459 1.1 . . . . 44.229999999999997 110.953 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.9 ttm-85 -146.88 134.32 20.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 74.140000000000001 110.276 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.462 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 14.2 mtmt -74.2 167.65 21.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 65.409999999999997 109.244 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.654 HG22 ' NE1' ' A' ' 59' ' ' TRP . 11.9 p -79.95 126.28 30.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.519 1.137 . . . . 75.439999999999998 110.353 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.462 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 78.75 39.94 19.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.478 1.111 . . . . 62.5 111.003 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 43' ' ' ALA . 46.9 mm-40 -104.24 -21.11 13.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 74.219999999999999 110.238 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.637 ' HB2' ' OH ' ' A' ' 48' ' ' TYR . . . -39.5 99.84 0.2 Allowed Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 70.230000000000004 109.3 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.3 Cg_endo -74.94 58.2 4.77 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.52 1.8 . . . . 70.109999999999999 110.996 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.17 -40.32 0.03 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.52 1.138 . . . . 63.409999999999997 110.971 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.45 ' HB2' ' CD2' ' A' ' 26' ' ' HIS . 6.7 t80 -129.48 121.61 27.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.783 . . . . 73.200000000000003 111.0 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.8 m -88.28 140.29 29.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 74.420000000000002 109.994 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.637 ' OH ' ' HB2' ' A' ' 43' ' ' ALA . 2.6 m-30 -95.85 -171.62 2.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.08 . . . . 74.5 111.015 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.709 HG23 ' HE2' ' A' ' 79' ' ' LYS . 18.7 p -62.28 170.1 2.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 65.430000000000007 110.378 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.77 -15.14 59.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.605 1.191 . . . . 65.450000000000003 109.32 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.415 ' HA ' ' ND2' ' A' ' 54' ' ' ASN . . . -92.14 -15.8 27.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 73.129999999999995 109.318 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.4 -30.3 11.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 72.120000000000005 109.284 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -64.9 -63.06 1.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 1.101 . . . . 75.030000000000001 109.348 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.415 ' ND2' ' HA ' ' A' ' 51' ' ' ALA . 10.5 p30 -41.08 -31.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 64.310000000000002 109.327 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.419 ' HG2' HG21 ' A' ' 40' ' ' THR . 0.8 OUTLIER -40.63 116.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 71.129999999999995 109.295 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -120.45 75.57 0.32 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 74.099999999999994 110.993 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.415 ' CD1' ' OH ' ' A' ' 74' ' ' TYR . 4.5 pt -144.13 -179.73 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.408 0.711 . . . . 74.010000000000005 109.413 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.462 ' CD1' ' HG3' ' A' ' 39' ' ' LYS . 3.8 mm -127.74 118.25 48.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 71.129999999999995 109.254 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.654 ' NE1' HG22 ' A' ' 40' ' ' THR . 71.6 m95 -61.47 151.9 31.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 75.239999999999995 108.068 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.854 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -168.54 -152.74 7.84 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.51 1.132 . . . . 64.099999999999994 110.925 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.482 ' O ' ' CG ' ' A' ' 65' ' ' MET . 1.8 tt0 -86.9 -24.64 24.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 0.747 . . . . 64.129999999999995 110.278 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -91.49 -59.17 2.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 64.109999999999999 109.33 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.457 HG21 ' O ' ' A' ' 58' ' ' ILE . 63.7 p -47.66 -29.56 3.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 73.219999999999999 110.356 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.854 HD12 ' O ' ' A' ' 60' ' ' GLY . 59.8 mt -84.86 -37.11 21.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.107 . . . . 75.519999999999996 109.318 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.482 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 2.7 mmt -56.52 -16.67 6.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 75.319999999999993 111.009 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -104.99 -62.46 1.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 74.209999999999994 110.302 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 71' ' ' PRO . 33.4 t80 -39.12 -60.25 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 73.530000000000001 111.049 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.631 HD22 HH12 ' A' ' 91' ' ' ARG . 1.6 mp -60.03 -40.23 88.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 71.439999999999998 109.322 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -59.52 -29.33 67.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 72.120000000000005 110.317 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 179.54 88.93 0.18 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 62.350000000000001 109.276 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -74.99 -17.35 19.65 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.53 1.805 . . . . 74.420000000000002 110.98 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -63.45 -18.45 63.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 72.430000000000007 109.335 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -108.88 6.0 24.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 55.5 109.349 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.415 ' OH ' ' CD1' ' A' ' 57' ' ' ILE . 1.7 t80 -110.04 -63.03 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 73.430000000000007 110.994 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.7 mt -126.61 83.67 64.35 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 71.040000000000006 109.353 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 119.06 5.49 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.519 1.8 . . . . 75.430000000000007 110.932 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.63 -17.67 12.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 61.200000000000003 111.02 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.416 ' OG1' ' CGD' ' A' ' 500' ' ' HEC . 8.9 t -45.19 158.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 0.74 . . . . 74.510000000000005 110.399 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.709 ' HE2' HG23 ' A' ' 49' ' ' THR . 0.9 OUTLIER -107.74 39.11 2.0 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 61.340000000000003 109.263 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.0 ttt -110.21 102.87 11.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 75.049999999999997 110.956 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.9 mm -62.01 118.77 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 73.129999999999995 109.322 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.41 ' HZ ' ' HZ1' ' A' ' 13' ' ' LYS . 8.4 t80 -172.32 178.32 2.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 64.530000000000001 111.019 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.501 HG23 ' N ' ' A' ' 84' ' ' GLY . 34.0 m -130.24 -51.5 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 72.200000000000003 109.397 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.501 ' N ' HG23 ' A' ' 83' ' ' VAL . . . 136.04 174.81 13.51 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.474 1.109 . . . . 44.210000000000001 110.978 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.532 HG12 ' HZ3' ' A' ' 13' ' ' LYS . 6.1 mt -124.56 96.71 3.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.552 0.795 . . . . 73.430000000000007 109.246 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -67.59 -23.78 65.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 72.239999999999995 109.264 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.25 110.24 13.09 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.128 . . . . 71.109999999999999 109.301 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -67.06 -34.85 78.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.591 1.182 . . . . 73.430000000000007 109.215 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -58.38 -60.69 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 73.439999999999998 110.335 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -60.7 -21.96 63.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.176 . . . . 64.239999999999995 110.288 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 1.043 ' NH2' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -79.21 -33.34 43.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 42.25 110.268 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -87.36 -8.23 56.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 62.140000000000001 109.258 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.499 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 37.3 m-20 -95.8 -45.03 7.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 75.329999999999998 109.313 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.53 HD22 ' CD1' ' A' ' 98' ' ' LEU . 2.3 tt -54.69 -42.34 71.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 64.129999999999995 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 1.043 HD11 ' NH2' ' A' ' 91' ' ' ARG . 58.0 mt -61.41 -42.06 92.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 73.239999999999995 109.309 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -48.05 -50.53 27.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 61.140000000000001 109.297 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.709 ' CD1' HG23 ' A' ' 3' ' ' VAL . 1.9 t80 -70.92 -60.14 2.4 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.544 1.152 . . . . 74.519999999999996 111.018 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.704 ' O ' HG23 ' A' ' 102' ' ' THR . 15.4 mt -40.48 -35.26 0.43 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 61.350000000000001 109.257 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -62.68 -53.41 54.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 74.099999999999994 109.289 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 97' ' ' TYR . 8.3 ttmm -71.76 -14.59 62.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 72.109999999999999 109.236 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.554 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -86.15 -31.83 21.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 75.140000000000001 109.285 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.759 HG22 ' O ' ' A' ' 32' ' ' LEU . 24.6 p -113.07 29.37 8.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 73.129999999999995 110.41 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -116.61 -42.72 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 70.439999999999998 109.333 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 74.299999999999997 110.312 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.768 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.004 -0.838 . . . . 52.200000000000003 111.004 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -68.36 134.47 50.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.521 0.777 . . . . 63.420000000000002 109.259 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.0 OUTLIER -79.11 -38.85 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 75.340000000000003 109.298 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -51.46 -49.31 61.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 73.120000000000005 110.294 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.667 ' O ' HD12 ' A' ' 9' ' ' ILE . 31.4 mmtm -55.22 -23.93 24.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 75.510000000000005 109.328 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.403 ' O ' ' CB ' ' A' ' 10' ' ' PHE . . . -100.1 -17.68 24.3 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.486 1.116 . . . . 72.040000000000006 111.029 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.533 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 13.5 tptm -64.72 -54.93 23.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 0.786 . . . . 74.430000000000007 109.329 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.406 ' HA ' HD12 ' A' ' 11' ' ' ILE . 50.7 mmtt -59.1 -56.35 23.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 60.43 109.304 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.667 HD12 ' O ' ' A' ' 5' ' ' LYS . 59.7 mt -50.64 -44.25 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 74.319999999999993 109.335 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.811 ' CD1' HD21 ' A' ' 98' ' ' LEU . 18.6 t80 -63.45 -24.47 67.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 72.239999999999995 110.969 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.468 HG23 ' HB2' ' A' ' 15' ' ' SER . 34.8 mt -83.65 -67.24 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 74.439999999999998 109.324 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.3 ttp -45.27 -25.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 65.420000000000002 110.99 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.58 ' HZ1' HD11 ' A' ' 85' ' ' ILE . 4.8 mtpm? -103.4 -36.79 7.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.405 1.066 . . . . 64.409999999999997 109.319 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -132.72 81.68 1.96 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 32.539999999999999 108.364 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.468 ' HB2' HG23 ' A' ' 11' ' ' ILE . 6.0 t -113.49 133.28 55.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 63.310000000000002 109.95 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.426 ' CG ' ' O ' ' A' ' 15' ' ' SER . 16.4 pt20 43.27 31.76 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 65.25 110.308 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.19 -47.23 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 75.409999999999997 108.281 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -109.29 136.9 47.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 64.329999999999998 109.601 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.3 p -109.0 147.5 32.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 63.549999999999997 110.335 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.2 m -133.18 13.97 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 62.119999999999997 109.25 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -75.14 151.81 38.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 55.240000000000002 110.262 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.487 ' CE ' ' O ' ' A' ' 104' ' ' GLU . 5.6 mmmm -68.51 78.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 73.140000000000001 109.299 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.55 21.72 16.12 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.431 1.082 . . . . 60.399999999999999 111.035 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.78 172.91 0.03 OUTLIER Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.959 -0.856 . . . . 42.539999999999999 110.959 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.2 162.2 14.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 0.788 . . . . 63.340000000000003 109.318 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -99.37 134.68 41.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 74.519999999999996 109.592 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -126.83 -100.34 0.37 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 74.230000000000004 109.289 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.04 -22.18 23.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 61.25 110.423 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.9 157.47 25.35 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.483 1.114 . . . . 73.329999999999998 110.982 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 145.85 32.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.425 1.75 . . . . 64.109999999999999 111.021 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 33' ' ' HIS . 40.6 t-20 -72.79 124.82 26.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.403 1.064 . . . . 54.229999999999997 109.234 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.662 HD21 ' O1A' ' A' ' 500' ' ' HEC . 7.3 mp -95.97 43.15 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 74.540000000000006 109.331 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.449 ' N ' ' OD1' ' A' ' 31' ' ' ASN . 1.1 t-160 -69.98 -39.11 76.14 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.469 1.106 . . . . 64.430000000000007 109.62 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.499 ' HA3' HH21 ' A' ' 38' ' ' ARG . . . -102.21 24.67 30.34 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.538 1.149 . . . . 75.209999999999994 110.979 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.569 HD21 HD11 ' A' ' 64' ' ' LEU . 47.6 tp -40.54 -67.74 0.22 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.474 0.749 . . . . 70.129999999999995 109.299 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.56 ' CE2' ' HD2' ' A' ' 99' ' ' LYS . 43.6 m-85 -74.86 97.52 3.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 61.409999999999997 111.001 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.83 30.65 2.29 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.561 1.163 . . . . 44.229999999999997 110.978 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.499 HH21 ' HA3' ' A' ' 34' ' ' GLY . 53.4 ttm-85 -146.78 123.12 10.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 0.733 . . . . 74.140000000000001 110.266 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.664 ' HA ' HD13 ' A' ' 58' ' ' ILE . 7.4 tttt -64.33 170.99 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 65.409999999999997 109.315 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 57' ' ' ILE . 2.3 p -75.71 134.29 40.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 75.439999999999998 110.43 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.528 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 67.24 59.66 6.66 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 62.5 110.949 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 44' ' ' PRO . 37.7 mm-40 -113.69 -38.49 4.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 0.776 . . . . 74.219999999999999 110.329 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.446 ' CB ' ' OH ' ' A' ' 48' ' ' TYR . . . -39.56 99.94 0.2 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 70.230000000000004 109.263 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.411 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -75.02 -0.56 10.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.797 . . . . 70.109999999999999 110.978 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.68 -8.04 49.73 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.509 1.13 . . . . 63.409999999999997 111.018 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -166.05 120.77 1.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.748 . . . . 73.200000000000003 111.011 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.1 m -92.07 146.43 23.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 74.420000000000002 110.04 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.623 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -102.2 -175.17 2.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 74.5 110.997 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.702 HG23 ' HE2' ' A' ' 79' ' ' LYS . 3.1 p -67.96 152.72 45.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 65.430000000000007 110.465 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.76 -24.13 47.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.158 . . . . 65.450000000000003 109.31 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.92 -51.6 66.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 73.129999999999995 109.321 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -74.77 -56.93 4.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 72.120000000000005 109.329 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.7 tttm -40.77 -57.22 1.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 75.030000000000001 109.228 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -41.86 -43.0 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 64.310000000000002 109.301 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' ASN . 9.0 tptt -47.2 145.57 2.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 71.129999999999995 109.289 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.63 75.31 0.32 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.559 1.162 . . . . 74.099999999999994 110.917 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.473 ' O ' HG23 ' A' ' 40' ' ' THR . 2.7 pp -151.53 159.02 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.545 0.791 . . . . 74.010000000000005 109.319 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.664 HD13 ' HA ' ' A' ' 39' ' ' LYS . 7.1 mm -96.22 146.43 7.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 71.129999999999995 109.31 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -84.98 166.44 16.74 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.017 -1.105 . . . . 75.239999999999995 108.017 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.787 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -176.87 -154.97 12.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.519 1.137 . . . . 64.099999999999994 111.013 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -89.26 -23.77 22.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.465 0.744 . . . . 64.129999999999995 110.296 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -88.71 -60.03 2.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 64.109999999999999 109.338 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.4 p -48.0 -25.37 1.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 73.219999999999999 110.38 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.787 HD12 ' O ' ' A' ' 60' ' ' GLY . 36.9 mt -86.7 -39.06 16.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 75.519999999999996 109.308 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.8 mmt -56.13 -19.05 11.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 75.319999999999993 110.936 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -102.43 -34.3 9.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 74.209999999999994 110.292 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.619 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 13.7 t80 -69.79 -61.05 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 73.530000000000001 111.015 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mt -42.33 -41.54 2.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 71.439999999999998 109.353 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -54.89 -46.02 74.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 72.120000000000005 110.313 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 67' ' ' TYR . 1.1 p30 -156.31 76.19 4.58 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.606 1.191 . . . . 62.350000000000001 109.271 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.619 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 18.2 Cg_endo -75.03 -4.44 15.4 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.565 1.824 . . . . 74.420000000000002 111.025 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.24 -21.65 23.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 72.430000000000007 109.261 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 74' ' ' TYR . 0.1 OUTLIER -92.84 -32.62 14.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 55.5 109.279 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.408 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 1.2 t80 -62.4 -43.54 98.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 73.430000000000007 110.926 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.7 mt -139.13 90.17 12.06 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.152 . . . . 71.040000000000006 109.254 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 138.07 22.47 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.51 1.795 . . . . 75.430000000000007 111.048 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.76 11.29 71.1 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 61.200000000000003 111.015 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.4 ' OG1' ' CGD' ' A' ' 500' ' ' HEC . 7.9 t -70.98 169.47 14.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 74.510000000000005 110.391 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.702 ' HE2' HG23 ' A' ' 49' ' ' THR . 24.5 mttm -75.82 -28.9 58.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 61.340000000000003 109.311 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.534 ' CE ' ' NA ' ' A' ' 500' ' ' HEC . 4.2 tpp -43.06 133.23 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 75.049999999999997 110.976 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 27.2 mt -106.27 -28.44 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 73.129999999999995 109.348 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.558 ' CZ ' ' O ' ' A' ' 83' ' ' VAL . 51.3 t80 -59.53 166.92 2.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 64.530000000000001 111.052 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.558 ' O ' ' CZ ' ' A' ' 82' ' ' PHE . 26.1 m -120.15 139.55 47.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.573 1.171 . . . . 72.200000000000003 109.343 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -39.03 155.72 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.435 1.084 . . . . 44.210000000000001 110.997 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.58 HD11 ' HZ1' ' A' ' 13' ' ' LYS . 77.3 mt -82.41 165.83 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 73.430000000000007 109.286 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.508 ' N ' HG22 ' A' ' 85' ' ' ILE . 9.2 ptmt -109.17 -37.91 5.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 72.239999999999995 109.346 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -93.65 144.75 25.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 71.109999999999999 109.26 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.1 ptmm? -89.97 -38.34 13.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 73.430000000000007 109.346 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -57.35 -24.24 53.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 73.439999999999998 110.256 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -84.09 -23.16 30.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 64.239999999999995 110.304 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -73.28 -37.2 66.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 42.25 110.284 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 96' ' ' ALA . . . -70.33 -50.54 38.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.447 1.092 . . . . 62.140000000000001 109.342 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.514 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 7.0 m-20 -55.42 -49.58 72.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 75.329999999999998 109.376 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.551 HD12 HG22 ' A' ' 9' ' ' ILE . 2.1 tt -62.4 -42.65 99.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.393 1.058 . . . . 64.129999999999995 109.278 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 57.7 mt -71.39 -15.35 18.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.548 1.155 . . . . 73.239999999999995 109.339 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -76.88 -27.88 55.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 61.140000000000001 109.303 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.551 ' CE1' ' HB2' ' A' ' 101' ' ' ALA . 3.6 t80 -96.84 -31.1 12.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.068 . . . . 74.519999999999996 111.007 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.811 HD21 ' CD1' ' A' ' 10' ' ' PHE . 16.0 mt -68.07 -11.84 59.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 61.350000000000001 109.307 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.56 ' HD2' ' CE2' ' A' ' 36' ' ' PHE . 3.6 tptm -98.31 -55.44 2.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 74.099999999999994 109.246 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.32 -37.59 72.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 72.109999999999999 109.278 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.551 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -69.44 -44.18 71.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 75.140000000000001 109.299 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 32' ' ' LEU . 10.9 p -98.22 41.74 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 73.129999999999995 110.443 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -126.83 -52.97 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 70.439999999999998 109.293 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.487 ' O ' ' CE ' ' A' ' 22' ' ' LYS . 18.9 mt-10 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 74.299999999999997 110.284 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.789 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.023 -0.831 . . . . 52.200000000000003 111.023 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -73.85 -179.65 3.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 63.420000000000002 109.264 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.781 HG23 ' CD1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -115.82 -52.45 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 75.340000000000003 109.291 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -47.47 -35.22 8.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 73.120000000000005 110.293 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.472 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -66.8 -35.93 81.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 75.510000000000005 109.265 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -90.88 -11.49 61.65 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.546 1.154 . . . . 72.040000000000006 111.057 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.569 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 25.7 tttt -72.27 -21.67 61.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 74.430000000000007 109.26 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -86.33 -43.68 12.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.564 1.165 . . . . 60.43 109.294 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.619 HD12 ' OD2' ' A' ' 93' ' ' ASP . 8.8 mt -67.94 -13.88 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 74.319999999999993 109.302 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.458 ' CD1' HD21 ' A' ' 98' ' ' LEU . 10.0 t80 -86.84 -25.13 24.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 72.239999999999995 110.976 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 13' ' ' LYS . 96.1 mt -82.79 -70.72 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 74.439999999999998 109.319 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.2 mmm -38.47 -30.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 65.420000000000002 110.975 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 11' ' ' ILE . 29.0 mttt -102.16 -65.69 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 64.409999999999997 109.284 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -94.82 61.47 2.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 32.539999999999999 108.327 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.1 p -67.77 -83.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 63.310000000000002 109.95 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -115.85 54.3 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 65.25 110.361 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.498 ' SG ' HG21 ' A' ' 28' ' ' THR . 1.2 m -127.36 -55.17 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 75.409999999999997 108.259 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.629 ' ND1' HD11 ' A' ' 32' ' ' LEU . 31.3 m-70 -104.54 158.36 16.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 64.329999999999998 109.608 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.9 p -130.65 163.61 26.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 63.549999999999997 110.34 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.487 HG23 ' N ' ' A' ' 21' ' ' GLU . 26.8 m -134.23 -52.58 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 62.119999999999997 109.28 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.487 ' N ' HG23 ' A' ' 20' ' ' VAL . 9.4 pt-20 -40.14 137.94 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 55.240000000000002 110.326 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.514 ' HE2' ' CE1' ' A' ' 33' ' ' HIS . 21.4 tptp -44.61 -43.36 8.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 73.140000000000001 109.282 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -91.07 36.43 3.62 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.497 1.123 . . . . 60.399999999999999 111.027 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 21' ' ' GLU . . . -104.02 79.92 0.31 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.0 -0.84 . . . . 42.539999999999999 111.0 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.475 ' CD ' ' O ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -54.54 -174.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 0.764 . . . . 63.340000000000003 109.286 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 46' ' ' TYR . 6.7 m-70 -90.46 128.13 36.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 74.519999999999996 109.572 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.1 -77.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 74.230000000000004 109.312 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.498 HG21 ' SG ' ' A' ' 17' ' ' CYS . 5.9 m -101.29 -21.34 14.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 61.25 110.421 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -153.05 -168.68 17.29 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.422 1.076 . . . . 73.329999999999998 110.987 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.545 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 18.4 Cg_endo -74.93 140.12 25.27 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.489 1.784 . . . . 64.109999999999999 110.981 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 32' ' ' LEU . 4.6 t-20 -73.6 149.57 41.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 54.229999999999997 109.336 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.923 ' O ' HG22 ' A' ' 102' ' ' THR . 2.8 mp -106.2 88.77 2.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.452 1.095 . . . . 74.540000000000006 109.364 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.514 ' CE1' ' HE2' ' A' ' 22' ' ' LYS . 24.5 t-80 -113.59 -54.84 2.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.47 1.106 . . . . 64.430000000000007 109.645 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.659 ' HA3' HH21 ' A' ' 38' ' ' ARG . . . -102.12 24.75 30.14 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.411 1.069 . . . . 75.209999999999994 110.964 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.839 HD21 HD11 ' A' ' 64' ' ' LEU . 56.7 tp -40.52 -76.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 70.129999999999995 109.295 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.558 ' CD2' ' NZ ' ' A' ' 99' ' ' LYS . 52.1 m-85 -58.62 102.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 61.409999999999997 111.071 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.2 27.94 4.86 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 44.229999999999997 111.037 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.659 HH21 ' HA3' ' A' ' 34' ' ' GLY . 43.3 ttm-85 -146.87 149.55 33.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 0.738 . . . . 74.140000000000001 110.29 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.447 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 16.0 mtmt -88.11 -174.91 4.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 65.409999999999997 109.292 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 40.4 p -83.18 173.52 11.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 75.439999999999998 110.373 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.528 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 39.02 51.84 2.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.448 1.093 . . . . 62.5 110.987 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.43 ' CB ' ' HD3' ' A' ' 38' ' ' ARG . 90.9 mm-40 -104.59 -46.91 4.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 0.776 . . . . 74.219999999999999 110.319 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.606 ' HB3' ' OH ' ' A' ' 48' ' ' TYR . . . -39.76 100.04 0.21 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.147 . . . . 70.230000000000004 109.306 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.1 Cg_endo -74.99 0.23 9.16 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.602 1.843 . . . . 70.109999999999999 110.999 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.75 -14.12 38.27 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.456 1.098 . . . . 63.409999999999997 110.957 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.558 ' HB2' ' CD2' ' A' ' 26' ' ' HIS . 18.5 t80 -150.26 146.01 26.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.605 0.827 . . . . 73.200000000000003 110.997 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.6 m -113.18 139.54 48.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 74.420000000000002 109.981 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.606 ' OH ' ' HB3' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -100.81 -171.92 2.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 74.5 110.986 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.488 HG23 ' CD ' ' A' ' 79' ' ' LYS . 2.3 p -63.65 177.1 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 65.430000000000007 110.404 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -84.67 -14.45 48.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 65.450000000000003 109.263 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.28 -31.08 20.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 73.129999999999995 109.333 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -74.94 -59.17 2.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.125 . . . . 72.120000000000005 109.322 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' ASN . 4.8 tttm -49.95 -52.71 31.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.573 1.171 . . . . 75.030000000000001 109.324 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -40.59 -36.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 64.310000000000002 109.294 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -62.52 143.25 57.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 71.129999999999995 109.349 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.5 72.7 0.41 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.424 1.078 . . . . 74.099999999999994 111.01 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.538 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.1 pp -135.51 154.31 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.416 0.715 . . . . 74.010000000000005 109.293 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.447 ' CD1' ' HG3' ' A' ' 39' ' ' LYS . 3.4 mm -87.92 131.47 35.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 71.129999999999995 109.302 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.56 ' CZ2' HAA1 ' A' ' 500' ' ' HEC . 36.9 m95 -71.75 138.25 48.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.976 -1.12 . . . . 75.239999999999995 107.976 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.598 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -151.87 -151.67 5.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.538 1.149 . . . . 64.099999999999994 111.003 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 65' ' ' MET . 27.6 mt-10 -89.3 -39.61 13.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 0.726 . . . . 64.129999999999995 110.337 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -75.29 -51.15 13.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 64.109999999999999 109.275 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 p -57.23 -30.23 64.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 73.219999999999999 110.444 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.839 HD11 HD21 ' A' ' 35' ' ' LEU . 84.0 mt -89.06 -33.25 17.2 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.119 . . . . 75.519999999999996 109.285 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.474 ' CB ' ' O ' ' A' ' 61' ' ' GLU . 8.2 ttm -72.86 -15.36 61.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 75.319999999999993 111.019 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -107.94 -23.82 11.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 74.209999999999994 110.256 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 4.2 t80 -84.11 -42.19 16.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 73.530000000000001 111.016 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 68' ' ' LEU . 16.4 mt -59.41 -46.78 87.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 71.439999999999998 109.319 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 91' ' ' ARG . 14.4 tt0 -42.21 -30.37 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 72.120000000000005 110.266 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -173.18 92.61 0.37 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 62.350000000000001 109.24 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.566 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.3 Cg_endo -74.96 -0.07 9.51 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.45 1.763 . . . . 74.420000000000002 111.006 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -93.27 -16.99 24.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.077 . . . . 72.430000000000007 109.309 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -93.68 -57.52 2.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 55.5 109.312 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -52.05 -26.54 11.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 73.430000000000007 110.975 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.6 mt -148.21 90.35 5.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 71.040000000000006 109.349 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 121.13 6.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.537 1.809 . . . . 75.430000000000007 111.011 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.87 -3.51 33.92 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.474 1.109 . . . . 61.200000000000003 110.966 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.488 ' OG1' ' CGD' ' A' ' 500' ' ' HEC . 10.1 t -49.03 177.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 0.746 . . . . 74.510000000000005 110.407 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.488 ' CD ' HG23 ' A' ' 49' ' ' THR . 0.0 OUTLIER -126.91 24.26 6.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.632 1.207 . . . . 61.340000000000003 109.324 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.9 ttt -99.18 112.14 24.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 75.049999999999997 110.964 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.0 mt -70.47 114.72 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 73.129999999999995 109.266 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -153.22 163.01 40.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 64.530000000000001 110.993 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.47 HG23 ' N ' ' A' ' 84' ' ' GLY . 16.0 m -114.01 -49.52 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 72.200000000000003 109.308 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.47 ' N ' HG23 ' A' ' 83' ' ' VAL . . . 137.77 169.01 11.5 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.468 1.105 . . . . 44.210000000000001 111.012 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.818 HG22 ' HB2' ' A' ' 87' ' ' LYS . 9.1 mt -129.78 -50.61 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 73.430000000000007 109.326 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? 55.62 20.83 4.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 72.239999999999995 109.29 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.818 ' HB2' HG22 ' A' ' 85' ' ' ILE . 1.6 mmmp? -110.28 153.57 24.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 71.109999999999999 109.264 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -90.38 -64.68 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 73.430000000000007 109.265 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 93' ' ' ASP . 2.4 mp0 -57.1 -53.39 58.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 73.439999999999998 110.281 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.56 ' HG3' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -48.54 -24.22 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 64.239999999999995 110.317 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.456 ' CZ ' ' HB2' ' A' ' 69' ' ' GLU . 39.3 mtm-85 -100.34 -23.76 14.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 42.25 110.301 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 89' ' ' GLU . . . -89.67 -4.06 57.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 62.140000000000001 109.255 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.619 ' OD2' HD12 ' A' ' 9' ' ' ILE . 1.2 p-10 -106.53 -26.93 11.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 75.329999999999998 109.246 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.443 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 2.6 tm? -78.15 -42.65 31.06 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.563 1.164 . . . . 64.129999999999995 109.345 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 65.9 mt -66.6 -38.71 82.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 73.239999999999995 109.311 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.77 -55.2 32.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 61.140000000000001 109.257 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.781 ' CD1' HG23 ' A' ' 3' ' ' VAL . 0.7 OUTLIER -61.33 -60.45 3.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 74.519999999999996 110.979 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.698 ' O ' HG23 ' A' ' 102' ' ' THR . 14.2 mt -40.65 -48.26 2.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 61.350000000000001 109.307 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.558 ' NZ ' ' CD2' ' A' ' 36' ' ' PHE . 3.2 tptt -48.09 -49.13 32.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 74.099999999999994 109.324 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 97' ' ' TYR . 9.4 ttmm -73.25 -25.04 60.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 72.109999999999999 109.329 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.579 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -77.3 -19.79 55.91 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.419 1.074 . . . . 75.140000000000001 109.305 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.923 HG22 ' O ' ' A' ' 32' ' ' LEU . 35.7 p -113.68 24.07 12.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 73.129999999999995 110.479 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -108.92 -16.3 14.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 70.439999999999998 109.269 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.502 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 16.7 mt-10 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.447 1.092 . . . . 74.299999999999997 110.306 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.777 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.015 -0.834 . . . . 52.200000000000003 111.015 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.62 -177.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 63.420000000000002 109.237 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 6' ' ' GLY . 0.2 OUTLIER -117.96 -50.86 4.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 75.340000000000003 109.324 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -50.96 -23.06 2.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 73.120000000000005 110.314 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -76.27 -35.57 58.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 75.510000000000005 109.326 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -94.28 -11.1 57.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.526 1.141 . . . . 72.040000000000006 111.016 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.565 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 12.9 tptm -72.76 -24.13 60.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 74.430000000000007 109.284 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.7 -43.73 15.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 60.43 109.328 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.7 mt -66.01 -11.37 12.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 74.319999999999993 109.291 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.556 ' CD1' ' HB2' ' A' ' 14' ' ' CYS . 3.9 t80 -87.02 -27.09 23.42 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.61 1.194 . . . . 72.239999999999995 111.007 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 15' ' ' SER . 20.1 mt -80.99 -68.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 74.439999999999998 109.339 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.3 mmt -40.88 -27.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 65.420000000000002 111.012 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.485 ' HD3' ' CE1' ' A' ' 82' ' ' PHE . 24.6 mttt -105.37 -71.8 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 64.409999999999997 109.297 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.556 ' HB2' ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -86.87 50.61 2.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 32.539999999999999 108.3 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 11' ' ' ILE . 12.0 t -53.08 -82.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 63.310000000000002 110.042 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -120.36 58.18 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 65.25 110.261 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.418 ' HA ' ' CG2' ' A' ' 28' ' ' THR . 1.6 m -126.02 -46.59 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 75.409999999999997 108.311 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.456 ' CG ' HD12 ' A' ' 32' ' ' LEU . 88.2 m-70 -108.34 176.6 5.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 64.329999999999998 109.568 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.656 HG21 ' N ' ' A' ' 25' ' ' LYS . 2.2 p -118.76 -37.56 3.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 63.549999999999997 110.408 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.524 HG22 ' O ' ' A' ' 19' ' ' THR . 34.5 m 46.79 29.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 62.119999999999997 109.261 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.463 ' HG3' ' CA ' ' A' ' 24' ' ' GLY . 1.6 pt-20 -132.94 140.99 48.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 55.240000000000002 110.248 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -40.37 -55.43 2.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 73.140000000000001 109.299 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.7 41.03 3.07 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.462 1.102 . . . . 60.399999999999999 111.004 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.463 ' CA ' ' HG3' ' A' ' 21' ' ' GLU . . . -76.97 130.4 10.44 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 110.975 -0.85 . . . . 42.539999999999999 110.975 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.656 ' N ' HG21 ' A' ' 19' ' ' THR . 4.0 mmtm -88.23 -169.77 2.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.417 0.716 . . . . 63.340000000000003 109.274 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -120.22 115.58 23.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 74.519999999999996 109.645 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -119.61 -85.67 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 74.230000000000004 109.282 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.44 ' O ' HMD3 ' A' ' 500' ' ' HEC . 18.4 p -89.76 -44.19 10.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.394 1.058 . . . . 61.25 110.347 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -124.85 173.55 17.13 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 73.329999999999998 110.959 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.487 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 18.3 Cg_endo -74.96 142.19 27.69 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.517 1.798 . . . . 64.109999999999999 111.053 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 32' ' ' LEU . 4.3 t-20 -42.9 152.45 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 54.229999999999997 109.291 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.722 ' O ' HG22 ' A' ' 102' ' ' THR . 20.4 mt -125.68 76.95 1.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 74.540000000000006 109.318 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.433 ' N ' ' OD1' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -125.08 -43.64 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 64.430000000000007 109.59 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.408 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -101.2 31.73 8.31 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.5 1.125 . . . . 75.209999999999994 111.016 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.136 HD21 HD11 ' A' ' 64' ' ' LEU . 18.3 tp -57.59 -54.19 49.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.594 0.82 . . . . 70.129999999999995 109.315 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -76.3 122.99 25.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 61.409999999999997 111.077 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.15 43.48 8.69 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 44.229999999999997 111.006 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.408 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 28.5 ttp180 -152.99 163.98 38.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 0.742 . . . . 74.140000000000001 110.286 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.406 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 14.7 mtmt -97.96 -178.19 4.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 65.409999999999997 109.32 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 67.7 p -95.52 146.69 24.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 75.439999999999998 110.456 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.563 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 63.63 59.77 8.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.572 1.17 . . . . 62.5 111.01 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 43' ' ' ALA . 56.4 mm-40 -108.85 -50.03 3.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.596 0.821 . . . . 74.219999999999999 110.272 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.65 ' HB3' ' OH ' ' A' ' 48' ' ' TYR . . . -39.48 99.93 0.2 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 70.230000000000004 109.286 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -75.0 0.14 9.27 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.461 1.769 . . . . 70.109999999999999 110.958 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.29 -23.07 17.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 63.409999999999997 110.937 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.514 ' O ' ' CE1' ' A' ' 48' ' ' TYR . 8.4 t80 -139.78 115.28 9.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 0.757 . . . . 73.200000000000003 111.04 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.3 m -89.03 123.45 33.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 74.420000000000002 110.002 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.65 ' OH ' ' HB3' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -84.31 -170.49 3.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.575 1.172 . . . . 74.5 110.991 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.54 HG23 ' NZ ' ' A' ' 79' ' ' LYS . 2.7 p -72.8 168.95 17.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 65.430000000000007 110.451 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.69 -20.65 56.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 65.450000000000003 109.276 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.568 ' HB1' ' O ' ' A' ' 76' ' ' PRO . . . -70.54 -28.72 65.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 73.129999999999995 109.293 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -96.74 -54.04 3.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 72.120000000000005 109.269 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.0 tttp -43.71 -50.53 7.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 75.030000000000001 109.263 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -53.16 -40.2 64.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 64.310000000000002 109.31 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 52' ' ' ASN . 15.5 tptp -43.62 141.16 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 71.129999999999995 109.363 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.472 ' O ' HG23 ' A' ' 57' ' ' ILE . . . -142.62 81.97 0.23 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.415 1.072 . . . . 74.099999999999994 110.995 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.507 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.5 pp -155.3 156.9 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 74.010000000000005 109.285 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.0 mm -84.79 138.64 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.158 . . . . 71.129999999999995 109.254 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -78.85 166.79 22.03 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.982 -1.118 . . . . 75.239999999999995 107.982 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 164.49 159.68 11.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.095 . . . . 64.099999999999994 111.0 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.708 ' HB2' HG21 ' A' ' 95' ' ' ILE . 5.6 pt-20 -54.06 -32.72 55.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 0.788 . . . . 64.129999999999995 110.259 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.91 -39.91 83.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 64.109999999999999 109.326 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.6 p -81.14 -19.58 43.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 73.219999999999999 110.437 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.136 HD11 HD21 ' A' ' 35' ' ' LEU . 72.9 mt -79.65 -24.59 41.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.12 . . . . 75.519999999999996 109.28 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.8 tpt -63.08 -61.38 2.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.177 . . . . 75.319999999999993 111.014 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.98 -37.13 86.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 74.209999999999994 110.31 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.402 ' CE1' ' HB3' ' A' ' 71' ' ' PRO . 67.9 t80 -60.11 -65.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 73.530000000000001 110.99 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.5 mt -52.48 -28.84 21.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 71.439999999999998 109.353 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -70.05 -38.45 75.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 72.120000000000005 110.277 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -162.97 80.2 1.67 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 62.350000000000001 109.272 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.402 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 18.4 Cg_endo -75.04 -1.62 11.47 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.499 1.789 . . . . 74.420000000000002 111.018 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.74 -15.91 52.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 72.430000000000007 109.299 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.08 -41.0 5.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 55.5 109.343 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -63.68 -37.8 88.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 73.430000000000007 111.036 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.485 HG22 ' HB ' ' A' ' 78' ' ' THR . 4.1 mm -133.28 85.89 43.02 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 71.040000000000006 109.339 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.568 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 18.3 Cg_endo -75.01 106.56 2.3 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.597 1.84 . . . . 75.430000000000007 110.996 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.2 41.29 2.1 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.535 1.147 . . . . 61.200000000000003 111.007 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.485 ' HB ' HG22 ' A' ' 75' ' ' ILE . 10.1 t -95.61 160.5 14.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.776 . . . . 74.510000000000005 110.384 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.86 ' O ' HD12 ' A' ' 81' ' ' ILE . 16.3 mtmm -92.09 -17.16 25.38 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.454 1.096 . . . . 61.340000000000003 109.306 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 7.0 ttt -67.63 102.37 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 75.049999999999997 111.043 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.86 HD12 ' O ' ' A' ' 79' ' ' LYS . 2.4 mp -74.71 93.15 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.514 1.134 . . . . 73.129999999999995 109.33 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.485 ' CE1' ' HD3' ' A' ' 13' ' ' LYS . 11.2 t80 -128.97 130.07 46.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 64.530000000000001 110.981 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.1 m -76.51 -38.65 32.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 72.200000000000003 109.302 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.19 160.7 15.5 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.429 1.081 . . . . 44.210000000000001 111.064 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.627 HD12 ' HG2' ' A' ' 91' ' ' ARG . 2.2 mt -112.98 139.22 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 73.430000000000007 109.314 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.15 -30.53 11.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.107 . . . . 72.239999999999995 109.324 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.412 ' CB ' ' HB2' ' A' ' 90' ' ' GLU . 14.1 mmmt -71.73 135.28 46.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.17 . . . . 71.109999999999999 109.32 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -79.88 -40.83 27.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 73.430000000000007 109.313 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -69.54 -43.01 73.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 73.439999999999998 110.255 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.412 ' HB2' ' CB ' ' A' ' 87' ' ' LYS . 22.4 tt0 -49.94 -24.02 2.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 64.239999999999995 110.233 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.627 ' HG2' HD12 ' A' ' 85' ' ' ILE . 92.3 mtm-85 -97.22 -42.14 7.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 42.25 110.302 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.89 -34.49 54.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 62.140000000000001 109.333 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.766 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 3.8 t0 -74.42 -59.36 2.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 75.329999999999998 109.285 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.802 HD21 HBB3 ' A' ' 500' ' ' HEC . 18.8 tp -43.19 -65.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 64.129999999999995 109.307 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.708 HG21 ' HB2' ' A' ' 61' ' ' GLU . 19.8 mt -40.99 -40.96 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 73.239999999999995 109.341 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.766 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -54.57 -59.2 5.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 61.140000000000001 109.299 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.629 ' CE1' ' HB2' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -60.66 -57.35 13.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 74.519999999999996 110.972 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.633 HD11 ' CMB' ' A' ' 500' ' ' HEC . 11.0 mt -51.38 -30.29 18.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.15 . . . . 61.350000000000001 109.327 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 95' ' ' ILE . 61.4 tttp -71.27 -32.91 69.27 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.454 1.096 . . . . 74.099999999999994 109.312 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -89.39 -16.41 31.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 72.109999999999999 109.279 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.629 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -81.34 -45.48 16.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 75.140000000000001 109.256 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 32' ' ' LEU . 21.1 p -90.68 25.59 2.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 73.129999999999995 110.417 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -110.75 -29.23 8.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 70.439999999999998 109.326 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 74.299999999999997 110.326 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.802 HBB3 HD21 ' A' ' 94' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.993 -0.843 . . . . 52.200000000000003 110.993 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -64.38 133.08 51.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 0.785 . . . . 63.420000000000002 109.317 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 6' ' ' GLY . 1.1 m -78.44 -41.74 25.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.158 . . . . 75.340000000000003 109.279 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -45.16 -47.31 12.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 73.120000000000005 110.26 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.666 ' O ' HD12 ' A' ' 9' ' ' ILE . 13.6 mptt -57.0 -35.32 69.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 75.510000000000005 109.296 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.465 ' O ' ' CB ' ' A' ' 10' ' ' PHE . . . -88.08 -13.82 63.54 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.133 . . . . 72.040000000000006 111.023 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.573 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 16.0 ttpp -76.48 -41.26 47.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 0.779 . . . . 74.430000000000007 109.281 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.405 ' NZ ' ' HA ' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -85.19 -15.64 42.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 60.43 109.365 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.666 HD12 ' O ' ' A' ' 5' ' ' LYS . 93.2 mt -93.73 -24.66 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 74.319999999999993 109.301 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.467 ' CD1' HD21 ' A' ' 98' ' ' LEU . 7.8 t80 -73.31 -20.08 60.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 72.239999999999995 110.968 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.3 mt -83.63 -69.47 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 74.439999999999998 109.206 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -48.06 -25.9 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 65.420000000000002 111.002 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -98.0 -35.68 10.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 64.409999999999997 109.286 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -135.26 81.43 1.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 32.539999999999999 108.302 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.0 t -114.12 138.35 50.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 63.310000000000002 110.041 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 40.03 39.11 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 65.25 110.3 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -134.47 -49.7 0.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 75.409999999999997 108.259 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -115.61 162.15 17.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.406 1.066 . . . . 64.329999999999998 109.573 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.826 HG21 ' O ' ' A' ' 25' ' ' LYS . 39.5 p -130.39 158.37 40.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.172 . . . . 63.549999999999997 110.384 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 21' ' ' GLU . 3.8 m -132.43 -47.94 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 62.119999999999997 109.338 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.438 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 2.8 pt-20 -70.21 148.51 48.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 55.240000000000002 110.275 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -55.34 -50.7 68.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 73.140000000000001 109.277 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.21 -33.15 37.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.107 . . . . 60.399999999999999 110.969 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.94 94.25 0.98 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.966 -0.854 . . . . 42.539999999999999 110.966 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.826 ' O ' HG21 ' A' ' 19' ' ' THR . 0.0 OUTLIER -68.09 164.57 19.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 63.340000000000003 109.384 179.902 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.513 ' CD2' ' HB2' ' A' ' 31' ' ' ASN . 8.1 m170 -68.33 131.59 45.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 74.519999999999996 109.568 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -119.17 -101.35 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 74.230000000000004 109.253 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.6 m -69.39 -33.59 73.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 61.25 110.474 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.19 176.82 20.75 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.5 1.125 . . . . 73.329999999999998 110.94 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.474 ' HG3' ' CZ ' ' A' ' 48' ' ' TYR . 18.6 Cg_endo -74.93 149.29 36.84 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.498 1.788 . . . . 64.109999999999999 110.968 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.513 ' HB2' ' CD2' ' A' ' 26' ' ' HIS . 9.2 t-20 -64.14 118.2 8.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 54.229999999999997 109.309 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.584 HD13 HD13 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -49.86 -26.34 3.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 74.540000000000006 109.336 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -41.32 -39.72 1.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 64.430000000000007 109.536 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.88 48.6 1.08 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.488 1.118 . . . . 75.209999999999994 110.969 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.728 HD21 ' CD1' ' A' ' 64' ' ' LEU . 16.6 tp -89.86 -74.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 0.74 . . . . 70.129999999999995 109.312 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -62.54 114.39 3.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 61.409999999999997 110.942 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.07 40.05 4.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 44.229999999999997 110.985 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.8 ttm-85 -149.14 119.61 7.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 0.781 . . . . 74.140000000000001 110.305 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -63.8 -175.11 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 65.409999999999997 109.336 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.4 p -84.62 122.19 28.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 75.439999999999998 110.39 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.541 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 72.72 57.34 5.45 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.508 1.13 . . . . 62.5 111.015 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 44' ' ' PRO . 65.8 mm-40 -110.67 -36.28 5.77 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 0.795 . . . . 74.219999999999999 110.331 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.54 99.89 0.2 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 70.230000000000004 109.351 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.5 Cg_endo -74.93 -1.51 11.3 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.469 1.773 . . . . 70.109999999999999 111.018 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.52 -10.58 35.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 63.409999999999997 111.029 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -154.94 138.08 15.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.774 . . . . 73.200000000000003 110.973 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.7 m -109.63 144.17 38.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.455 1.097 . . . . 74.420000000000002 110.033 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.603 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 0.7 OUTLIER -103.64 -173.92 2.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 74.5 110.978 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.0 p -66.28 179.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 65.430000000000007 110.393 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.7 11.24 20.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 65.450000000000003 109.359 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.64 -45.1 6.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 73.129999999999995 109.306 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -85.21 -46.8 10.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 72.120000000000005 109.308 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -45.35 -27.7 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 75.030000000000001 109.26 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -70.69 -47.42 59.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 64.310000000000002 109.289 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 52' ' ' ASN . 6.7 tptm -44.29 149.25 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 71.129999999999995 109.345 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.481 ' O ' HG23 ' A' ' 57' ' ' ILE . . . -142.58 78.58 0.27 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.421 1.076 . . . . 74.099999999999994 110.931 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.528 HD12 ' O ' ' A' ' 58' ' ' ILE . 2.6 pp -155.11 172.1 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 74.010000000000005 109.281 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.528 ' O ' HD12 ' A' ' 57' ' ' ILE . 3.6 mm -92.12 165.1 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 71.129999999999995 109.355 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.532 ' CE3' ' CD2' ' A' ' 64' ' ' LEU . 25.7 m95 -106.99 83.14 1.78 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.508 1.13 . . . . 75.239999999999995 108.016 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -95.17 -157.8 32.56 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.459 1.099 . . . . 64.099999999999994 110.984 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 65' ' ' MET . 1.7 mp0 -87.57 -48.4 7.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 0.751 . . . . 64.129999999999995 110.209 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -63.39 -36.65 84.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 64.109999999999999 109.298 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 48.2 p -64.0 -64.24 0.94 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 73.219999999999999 110.387 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.728 ' CD1' HD21 ' A' ' 35' ' ' LEU . 39.9 mt -56.05 -36.13 67.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 75.519999999999996 109.36 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.451 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 2.8 mmt -52.75 -19.56 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 75.319999999999993 111.027 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -105.51 -47.5 3.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 74.209999999999994 110.359 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.452 ' O ' ' N ' ' A' ' 71' ' ' PRO . 5.2 t80 -54.15 -60.88 2.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 73.530000000000001 111.022 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.761 HD13 HH12 ' A' ' 91' ' ' ARG . 4.7 mt -60.42 -23.58 64.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 71.439999999999998 109.287 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -75.74 -33.33 60.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 72.120000000000005 110.308 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -160.72 73.44 2.79 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.6 1.187 . . . . 62.350000000000001 109.3 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 67' ' ' TYR . 18.5 Cg_endo -74.97 -1.26 10.98 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 74.420000000000002 111.017 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -85.2 -17.09 38.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 72.430000000000007 109.232 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.87 -44.11 4.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 55.5 109.304 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -53.71 -51.86 61.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.165 . . . . 73.430000000000007 111.038 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.703 ' O ' HG22 ' A' ' 78' ' ' THR . 4.4 mt -137.31 88.26 17.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 71.040000000000006 109.301 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 127.26 10.56 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 75.430000000000007 111.011 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.03 -19.82 34.45 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.5 1.125 . . . . 61.200000000000003 110.982 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.703 HG22 ' O ' ' A' ' 75' ' ' ILE . 1.5 t -45.77 166.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.789 . . . . 74.510000000000005 110.421 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -88.7 -15.72 34.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 61.340000000000003 109.27 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.418 ' HG2' ' C4D' ' A' ' 500' ' ' HEC . 13.2 mmm -50.15 97.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 75.049999999999997 110.967 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.55 ' O ' HG22 ' A' ' 81' ' ' ILE . 22.0 mm -77.05 58.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 73.129999999999995 109.223 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.498 ' CZ ' HG13 ' A' ' 85' ' ' ILE . 1.5 t80 -107.06 153.08 23.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 64.530000000000001 110.989 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.2 m -99.76 -28.8 3.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.457 1.098 . . . . 72.200000000000003 109.327 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.72 128.41 5.56 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.575 1.172 . . . . 44.210000000000001 110.996 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.634 HG22 ' O ' ' A' ' 87' ' ' LYS . 65.2 mt -84.37 84.92 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 73.430000000000007 109.342 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -42.9 -54.58 4.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 72.239999999999995 109.338 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.634 ' O ' HG22 ' A' ' 85' ' ' ILE . 11.6 mmmt -62.74 137.01 58.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 71.109999999999999 109.278 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.46 -25.65 22.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.088 . . . . 73.430000000000007 109.28 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -58.88 -64.63 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 73.439999999999998 110.333 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.94 -20.71 17.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 64.239999999999995 110.274 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 1.068 ' NH2' HD11 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -76.94 -37.36 55.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 42.25 110.293 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 93' ' ' ASP . . . -71.56 -67.2 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 62.140000000000001 109.305 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.687 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 28.4 m-20 -40.25 -49.31 2.7 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.559 1.162 . . . . 75.329999999999998 109.326 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.861 HD11 HD12 ' A' ' 98' ' ' LEU . 1.9 tm? -44.51 -51.46 8.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 64.129999999999995 109.302 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 1.068 HD11 ' NH2' ' A' ' 91' ' ' ARG . 15.7 mt -64.21 -32.8 58.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 73.239999999999995 109.263 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 93' ' ' ASP . . . -52.95 -32.49 46.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 61.140000000000001 109.272 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.573 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 7.3 t80 -95.17 -42.93 8.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 74.519999999999996 111.052 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.861 HD12 HD11 ' A' ' 94' ' ' LEU . 25.8 mt -66.51 -13.22 60.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 1.073 . . . . 61.350000000000001 109.284 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 95' ' ' ILE . 61.4 tttm -98.33 -20.24 17.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 74.099999999999994 109.274 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 37.3 tttp -100.89 -14.43 17.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 72.109999999999999 109.292 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 97' ' ' TYR . . . -90.16 -28.06 19.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 75.140000000000001 109.301 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 98' ' ' LEU . 23.4 p -104.4 23.44 13.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 73.129999999999995 110.438 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -111.36 -16.99 13.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 70.439999999999998 109.279 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 74.299999999999997 110.292 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.773 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.115 -0.794 . . . . 52.200000000000003 111.115 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -71.89 131.64 43.28 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.463 0.743 . . . . 63.420000000000002 109.24 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 6' ' ' GLY . 1.2 m -77.49 -42.43 30.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 75.340000000000003 109.276 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -46.29 -43.06 15.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.622 1.201 . . . . 73.120000000000005 110.275 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.64 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.9 mptp? -59.85 -35.17 74.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 75.510000000000005 109.25 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 3' ' ' VAL . . . -92.79 -6.56 63.61 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.463 1.102 . . . . 72.040000000000006 111.047 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.566 ' HA ' ' CE2' ' A' ' 97' ' ' TYR . 8.0 tttm -78.73 -60.71 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.405 0.709 . . . . 74.430000000000007 109.313 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm -60.8 -31.43 70.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 60.43 109.341 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 5' ' ' LYS . 70.6 mt -72.57 -42.0 63.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 74.319999999999993 109.326 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.545 ' CD1' HD21 ' A' ' 98' ' ' LEU . 25.6 t80 -65.12 -17.74 64.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.594 1.184 . . . . 72.239999999999995 111.037 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.456 ' O ' ' CB ' ' A' ' 15' ' ' SER . 30.8 mt -85.32 -57.92 3.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.527 1.142 . . . . 74.439999999999998 109.33 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 58.4 mtp -63.63 -11.29 24.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 65.420000000000002 110.985 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.549 ' CE ' HG23 ' A' ' 9' ' ' ILE . 37.1 mttm -113.51 -36.7 4.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.133 . . . . 64.409999999999997 109.278 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -132.23 79.17 1.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 32.539999999999999 108.261 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 1.3 p -117.42 145.93 43.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 63.310000000000002 110.02 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 41.78 33.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 65.25 110.292 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -133.06 -71.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 75.409999999999997 108.279 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -96.55 140.6 30.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 64.329999999999998 109.573 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.905 HG21 ' O ' ' A' ' 25' ' ' LYS . 27.8 p -112.37 154.09 26.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 63.549999999999997 110.346 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.7 m -136.5 12.17 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.073 . . . . 62.119999999999997 109.304 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 24' ' ' GLY . 19.7 tt0 -99.44 120.45 39.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 55.240000000000002 110.281 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -42.2 -49.25 4.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 73.140000000000001 109.328 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.43 -25.4 63.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.454 1.096 . . . . 60.399999999999999 110.933 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 21' ' ' GLU . . . -43.46 167.58 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.011 -0.836 . . . . 42.539999999999999 111.011 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.905 ' O ' HG21 ' A' ' 19' ' ' THR . 0.7 OUTLIER -126.77 161.2 28.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 0.783 . . . . 63.340000000000003 109.318 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.519 ' ND1' ' HA ' ' A' ' 30' ' ' PRO . 5.3 m170 -83.34 136.19 34.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 74.519999999999996 109.587 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -122.16 -77.11 0.59 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 74.230000000000004 109.372 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.449 ' O ' HMD3 ' A' ' 500' ' ' HEC . 2.4 m -96.87 -35.84 10.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 61.25 110.341 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -134.18 169.87 22.81 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.15 . . . . 73.329999999999998 111.003 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.525 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 18.2 Cg_endo -75.06 138.09 22.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.447 1.762 . . . . 64.109999999999999 110.956 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.468 ' ND2' ' CB ' ' A' ' 19' ' ' THR . 9.8 t-20 -54.48 121.3 8.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 54.229999999999997 109.308 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 19' ' ' THR . 94.8 mt -59.8 -16.75 30.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.478 1.111 . . . . 74.540000000000006 109.335 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -40.07 -46.22 2.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 64.430000000000007 109.621 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.574 ' HA3' HH21 ' A' ' 38' ' ' ARG . . . -102.1 50.14 0.97 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.628 1.205 . . . . 75.209999999999994 110.991 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.768 HD21 HD11 ' A' ' 64' ' ' LEU . 20.5 tp -88.72 -75.62 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 0.737 . . . . 70.129999999999995 109.275 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -60.76 98.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 61.409999999999997 111.025 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.64 33.58 2.23 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 44.229999999999997 110.963 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.574 HH21 ' HA3' ' A' ' 34' ' ' GLY . 38.3 ttm-85 -150.06 106.46 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 74.140000000000001 110.262 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.798 ' HE3' HD11 ' A' ' 58' ' ' ILE . 4.3 ttmt -45.03 167.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 65.409999999999997 109.262 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.731 HG22 ' NE1' ' A' ' 59' ' ' TRP . 3.2 p -79.03 109.34 13.24 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 75.439999999999998 110.453 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.544 ' HA2' ' CE2' ' A' ' 48' ' ' TYR . . . 92.84 60.68 1.19 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.532 1.145 . . . . 62.5 110.958 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 43' ' ' ALA . 61.1 mm-40 -118.89 -38.38 3.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 74.219999999999999 110.316 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' GLN . . . -39.54 99.94 0.2 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 70.230000000000004 109.315 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 42' ' ' GLN . 18.2 Cg_endo -75.02 -1.45 11.24 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.516 1.798 . . . . 70.109999999999999 110.989 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.2 -21.65 14.82 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.125 . . . . 63.409999999999997 111.033 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -146.78 119.28 8.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 0.76 . . . . 73.200000000000003 110.954 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.4 m -92.19 143.76 26.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 74.420000000000002 110.039 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.58 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 0.7 OUTLIER -100.91 -174.93 2.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.4 1.063 . . . . 74.5 111.035 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.42 HG23 ' HE2' ' A' ' 79' ' ' LYS . 3.3 p -57.91 175.4 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.6 1.187 . . . . 65.430000000000007 110.427 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.82 -15.92 46.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 65.450000000000003 109.303 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.73 -26.18 21.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 73.129999999999995 109.326 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -83.97 -50.78 7.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 72.120000000000005 109.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -51.83 -34.4 40.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 75.030000000000001 109.306 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -56.24 -40.6 74.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 64.310000000000002 109.281 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -52.95 137.32 32.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 71.129999999999995 109.349 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.43 76.58 0.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 74.099999999999994 111.013 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.429 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.6 pp -149.78 158.29 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 74.010000000000005 109.318 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.798 HD11 ' HE3' ' A' ' 39' ' ' LYS . 35.8 mm -88.91 126.14 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 71.129999999999995 109.282 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.731 ' NE1' HG22 ' A' ' 40' ' ' THR . 88.1 m95 -69.96 152.5 44.38 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.971 -1.122 . . . . 75.239999999999995 107.971 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.71 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -160.33 -155.4 7.74 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.54 1.15 . . . . 64.099999999999994 110.952 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.408 ' CG ' ' HD2' ' A' ' 99' ' ' LYS . 14.1 mt-10 -87.69 -32.95 18.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 64.129999999999995 110.264 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.446 ' CG ' ' N ' ' A' ' 63' ' ' THR . 2.4 p-10 -80.01 -49.39 11.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 64.109999999999999 109.275 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.446 ' N ' ' CG ' ' A' ' 62' ' ' ASP . 18.7 p -61.37 -18.89 60.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 73.219999999999999 110.409 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.768 HD11 HD21 ' A' ' 35' ' ' LEU . 20.8 mt -90.57 -47.39 7.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 75.519999999999996 109.308 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 tpt -44.17 -38.01 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 75.319999999999993 110.955 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 69' ' ' GLU . 64.8 tt0 -79.25 -54.23 6.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 74.209999999999994 110.317 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -48.4 -30.12 4.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 73.530000000000001 110.984 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.787 HD11 HD12 ' A' ' 94' ' ' LEU . 15.9 mt -78.3 -32.67 49.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 71.439999999999998 109.294 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 66' ' ' GLU . 59.4 tt0 -69.93 -30.51 67.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 72.120000000000005 110.294 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -170.91 85.2 0.51 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 62.350000000000001 109.339 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -33.79 4.31 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.459 1.768 . . . . 74.420000000000002 111.059 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.454 ' HA ' ' CE ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -58.69 -29.58 66.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 72.430000000000007 109.317 179.889 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.468 ' HB3' ' HZ3' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -81.57 -58.68 2.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 55.5 109.285 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -42.4 -31.83 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 73.430000000000007 111.032 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.56 ' O ' HG22 ' A' ' 78' ' ' THR . 3.2 mt -142.75 90.33 7.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 71.040000000000006 109.278 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 116.62 4.64 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.575 1.829 . . . . 75.430000000000007 110.992 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.75 -8.15 31.86 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 61.200000000000003 111.013 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 75' ' ' ILE . 2.1 t -51.45 171.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 74.510000000000005 110.392 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.72 ' O ' HD12 ' A' ' 81' ' ' ILE . 13.5 mtmt -96.73 -15.79 21.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 61.340000000000003 109.324 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 38.6 mmm -44.49 99.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 75.049999999999997 110.999 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 79' ' ' LYS . 1.8 mp -64.78 -19.24 25.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 73.129999999999995 109.362 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -45.69 168.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 64.530000000000001 110.967 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.6 m -117.17 -44.3 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 72.200000000000003 109.307 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.67 -179.2 17.84 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.131 . . . . 44.210000000000001 111.009 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.7 mt -132.07 148.67 32.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.557 0.798 . . . . 73.430000000000007 109.327 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -104.01 -37.42 7.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 72.239999999999995 109.296 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.504 ' HZ2' ' HB3' ' A' ' 87' ' ' LYS . 1.0 OUTLIER -76.82 108.11 9.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 71.109999999999999 109.287 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.57 -16.71 61.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 73.430000000000007 109.365 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -69.01 -51.9 34.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 73.439999999999998 110.263 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -58.73 -27.75 65.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 64.239999999999995 110.384 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 80.1 mtm-85 -69.86 -40.03 75.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 42.25 110.304 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 96' ' ' ALA . . . -65.63 -56.97 9.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 62.140000000000001 109.277 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -55.95 -39.69 72.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 75.329999999999998 109.328 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.787 HD12 HD11 ' A' ' 68' ' ' LEU . 2.9 tm? -62.9 -37.02 85.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 64.129999999999995 109.345 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.488 HD11 HD12 ' A' ' 68' ' ' LEU . 51.0 mt -83.88 -17.78 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 73.239999999999995 109.268 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 92' ' ' ALA . . . -73.84 -26.18 60.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.157 . . . . 61.140000000000001 109.307 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.566 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 5.6 t80 -97.38 -33.74 11.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 74.519999999999996 111.011 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.556 HD12 ' CD1' ' A' ' 94' ' ' LEU . 33.1 mt -74.48 -16.07 60.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 61.350000000000001 109.33 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.408 ' HD2' ' CG ' ' A' ' 61' ' ' GLU . 43.4 tttp -97.14 -15.78 20.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 74.099999999999994 109.309 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.9 tttp -105.89 -15.68 14.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 72.109999999999999 109.257 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -85.14 -45.71 11.79 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.528 1.142 . . . . 75.140000000000001 109.276 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.5 p -92.87 26.42 2.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.621 1.201 . . . . 73.129999999999995 110.458 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -133.58 15.67 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 70.439999999999998 109.339 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 74.299999999999997 110.319 179.928 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 500' ' ' HEC . . . . . 0.781 HBB3 HMB1 ' A' ' 500' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_