data_2m4g_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 2m4g _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 ' 22' ' ' THR . . . . . . . . . . . . . 24.3 p . . . . . 0 N--CA 1.442 -0.869 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -51.22 -41.74 60.49 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.665 0.269 . . . . 0.0 111.46 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -66.6 -49.62 65.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.969 -176.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -65.35 -36.43 84.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.105 0.478 . . . . 0.0 109.844 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.571 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 68.2 t80 -71.0 -36.84 72.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.534 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.409 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 11.8 t70 -66.64 -42.2 87.1 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -59.25 -45.32 91.49 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.435 173.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -58.81 -43.53 90.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.191 176.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 53.0 mtmt -61.34 -46.93 88.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.783 0.325 . . . . 0.0 110.3 178.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -57.86 -47.76 81.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.4 0.619 . . . . 0.0 110.686 176.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 35' ' ' SER . 83.7 mtt180 -65.73 -34.01 77.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.196 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.571 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 22.6 ttt180 -73.3 -37.38 66.22 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 177.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.69 -37.35 86.1 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 32' ' ' ARG . 44.7 t -58.06 -30.7 66.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.808 175.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.541 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 8.4 mpt_? -97.45 13.42 29.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.349 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.61 27.3 70.75 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.755 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.9 -12.81 69.11 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.397 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -87.57 60.12 5.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.293 0.568 . . . . 0.0 110.492 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.579 ' HH ' ' HA ' ' A' ' 45' ' ' TYR . 14.5 t80 -145.17 98.22 3.13 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.081 -178.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.62 168.22 19.14 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.236 -0.585 . . . . 0.0 109.911 -176.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.06 -33.75 59.92 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.917 0 C-N-CA 120.109 -0.636 . . . . 0.0 110.113 -178.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -66.98 -32.79 74.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.694 0.283 . . . . 0.0 110.779 -177.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -65.04 -39.99 94.15 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 173.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.579 ' HA ' ' HH ' ' A' ' 40' ' ' TYR . 86.6 t80 . . . . . 0 C--O 1.214 -0.799 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.568 175.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.1 p . . . . . 0 N--CA 1.445 -0.704 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -57.8 -34.02 69.18 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.333 -177.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -64.9 -49.35 70.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.737 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -63.9 -40.02 95.53 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.082 0.468 . . . . 0.0 110.151 178.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.576 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 64.0 t80 -67.5 -40.17 85.2 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.25 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.475 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 24.5 t70 -61.64 -45.82 92.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.88 176.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 33.1 tt0 -57.13 -47.93 79.91 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.563 174.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -53.25 -46.6 69.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.044 176.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.576 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 49.3 mtmt -60.85 -46.71 89.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.344 . . . . 0.0 110.708 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -62.02 -41.82 98.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.418 0.628 . . . . 0.0 110.39 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 38.4 mtp180 -67.33 -38.73 85.35 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.794 178.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.552 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 15.6 ttt180 -67.6 -39.5 84.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 177.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -61.19 -38.11 85.37 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.911 174.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.8 t -64.26 -23.34 67.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.924 177.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.535 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 5.8 mpt_? -99.38 8.0 45.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.932 178.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.15 29.98 75.98 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.417 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.75 -17.55 57.58 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.451 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.15 60.3 6.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.441 0.638 . . . . 0.0 110.508 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.552 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 20.0 t80 -148.85 105.25 3.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.512 -178.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.06 170.08 11.85 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 120.021 -0.671 . . . . 0.0 109.575 178.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.27 -26.7 27.36 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.29 0 C-N-CA 119.739 -0.785 . . . . 0.0 110.433 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -62.28 -36.49 82.25 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 176.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -63.49 -44.88 93.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.445 173.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 82.6 t80 . . . . . 0 C--O 1.22 -0.466 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.434 176.176 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.4 p . . . . . 0 N--CA 1.445 -0.679 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -66.74 -15.74 63.76 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.853 0.359 . . . . 0.0 110.651 178.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -82.46 -53.67 5.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.438 176.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -59.68 -40.38 87.62 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.424 0.63 . . . . 0.0 110.154 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.567 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 52.3 t80 -69.4 -34.08 73.97 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.7 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -65.75 -44.2 86.63 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.593 ' HA ' ' CE ' ' A' ' 31' ' ' LYS . 24.0 tp10 -58.11 -42.67 86.22 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.782 174.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.403 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 34.7 t80 -59.93 -43.92 94.66 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.223 176.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.567 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 51.2 mtmt -63.01 -48.49 78.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.496 0.189 . . . . 0.0 110.599 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.593 ' CE ' ' HA ' ' A' ' 28' ' ' GLU . 49.2 mtmt -54.96 -46.92 75.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.545 0.688 . . . . 0.0 110.076 177.035 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.506 ' O ' ' HD2' ' A' ' 36' ' ' ARG . 63.9 mtt180 -62.74 -47.68 82.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.413 178.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.522 ' HD2' ' O ' ' A' ' 40' ' ' TYR . 25.0 ttt180 -62.83 -40.42 97.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.891 -178.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -61.28 -40.88 95.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.013 0.435 . . . . 0.0 110.309 176.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.0 t -64.22 -28.44 69.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.715 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.506 ' HD2' ' O ' ' A' ' 32' ' ' ARG . 2.5 mpt_? -89.92 10.19 24.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.007 177.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.09 20.71 78.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.699 177.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.86 -7.46 76.85 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.199 -178.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -94.05 67.01 3.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.295 0.569 . . . . 0.0 110.202 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.556 ' HH ' ' HA ' ' A' ' 45' ' ' TYR . 20.2 t80 -150.78 101.94 2.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.76 -176.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.27 167.5 21.75 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.454 -179.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.403 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . 1.4 tp -66.73 -35.43 74.76 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.136 178.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -68.46 -28.61 67.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 123.148 0.28 . . . . 0.0 110.578 -177.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -65.97 -36.09 82.38 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 172.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.556 ' HA ' ' HH ' ' A' ' 40' ' ' TYR . 82.5 t80 . . . . . 0 C--O 1.219 -0.513 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.572 175.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.445 -0.71 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -54.42 -39.72 67.6 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 123.002 0.188 . . . . 0.0 111.426 -175.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.19 -38.8 88.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.603 0.24 . . . . 0.0 111.452 -177.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -73.01 -46.26 53.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.315 0.579 . . . . 0.0 109.703 177.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.546 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 59.9 t80 -64.91 -33.04 75.08 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.3 -178.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.03 -45.78 76.44 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.761 177.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -57.23 -44.12 83.5 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 174.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.406 ' HB3' ' O ' ' A' ' 26' ' ' TYR . 23.6 t80 -56.7 -45.51 81.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.2 175.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 54.1 mtmt -61.49 -46.8 88.48 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 120.735 0.303 . . . . 0.0 110.741 178.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -59.14 -44.82 92.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.331 0.586 . . . . 0.0 110.333 177.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.33 -42.77 92.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.052 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.541 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 15.0 ttt180 -63.0 -39.03 93.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.257 178.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -62.73 -37.85 88.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.289 174.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.6 t -69.75 -26.11 64.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.853 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.497 ' HD3' ' CG ' ' A' ' 40' ' ' TYR . 5.9 mpt_? -91.75 6.45 45.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.948 176.135 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.49 26.55 73.96 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.83 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.94 -20.95 47.64 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.599 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.19 62.92 7.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.427 0.632 . . . . 0.0 110.671 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.541 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 16.4 t80 -144.33 102.51 3.85 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.522 -179.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.81 171.55 13.01 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 120.454 -0.498 . . . . 0.0 109.947 178.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -70.67 -31.15 45.11 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.958 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.46 -177.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.89 -37.97 80.91 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.141 -0.224 . . . . 0.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.425 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 4.9 t70 -68.34 -36.59 79.48 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.211 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.445 ' HA ' ' OH ' ' A' ' 40' ' ' TYR . 78.7 t80 . . . . . 0 C--O 1.221 -0.399 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.928 173.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.5 p . . . . . 0 N--CA 1.448 -0.574 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -58.08 -39.41 78.48 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 121.233 -0.187 . . . . 0.0 111.179 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -69.21 -45.91 68.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.368 -178.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.47 -44.83 96.4 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.357 0.599 . . . . 0.0 109.619 176.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.555 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 59.4 t80 -66.97 -36.76 82.9 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.653 -178.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.475 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 33.5 t70 -64.66 -42.93 95.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.984 0.421 . . . . 0.0 110.254 177.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -61.79 -44.26 97.21 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.22 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -56.83 -44.77 82.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.89 174.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.555 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 56.1 mtmt -59.8 -51.02 71.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.622 0.248 . . . . 0.0 110.632 178.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -54.68 -46.79 74.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.456 0.646 . . . . 0.0 110.594 177.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -67.42 -37.46 83.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.366 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.571 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 17.9 ttt180 -70.24 -39.15 75.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.562 178.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.64 -41.31 94.64 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.5 t -59.89 -36.54 77.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.694 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.557 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 6.5 mpt_? -87.59 12.99 11.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.561 179.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.52 34.43 89.1 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.552 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.8 -19.66 19.52 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.23 -0.509 . . . . 0.0 112.21 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -83.73 57.05 3.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.321 0.582 . . . . 0.0 111.241 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.571 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 16.5 t80 -137.23 102.28 4.77 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.667 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.66 164.55 25.2 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.657 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -66.21 -31.68 54.71 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.166 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.741 178.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -67.45 -29.47 68.95 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.304 -176.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -67.66 -43.97 78.97 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 173.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 90.7 t80 . . . . . 0 C--O 1.216 -0.688 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.326 175.63 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.5 p . . . . . 0 N--CA 1.442 -0.84 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -57.88 -34.11 69.43 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.549 0.214 . . . . 0.0 111.197 -177.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 25' ' ' GLU . 9.5 pt-20 -70.81 -45.83 63.92 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.756 -0.202 . . . . 0.0 111.02 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 21.7 mt-10 -67.82 -41.12 83.55 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.546 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 73.5 t80 -66.85 -36.35 82.13 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.441 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -63.94 -46.11 86.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.213 0.53 . . . . 0.0 109.98 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -62.57 -37.8 87.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.734 177.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 45' ' ' TYR . 15.4 t80 -63.48 -43.07 98.34 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.726 174.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 50.2 mtmt -60.11 -42.26 94.35 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 177.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -62.69 -48.28 79.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.465 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -65.0 -33.46 76.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.975 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.617 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 50.0 ttt180 -74.47 -35.67 63.29 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.366 177.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -63.86 -35.51 80.89 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 173.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.0 t -63.33 -17.19 62.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.884 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.526 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 4.8 mpt_? -112.32 17.65 19.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 178.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.88 15.31 64.53 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.909 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.86 -16.22 54.67 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.05 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -88.8 62.94 6.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.607 0.717 . . . . 0.0 110.815 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.617 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 27.2 t80 -142.18 104.88 4.52 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.999 -1.0 . . . . 0.0 108.616 -177.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.06 166.36 19.82 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.751 -175.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.8 tp -61.74 -33.97 60.11 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.891 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.226 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -63.78 -33.28 75.31 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.951 0.405 . . . . 0.0 110.686 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -70.65 -33.52 71.05 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.557 ' HA ' ' HH ' ' A' ' 40' ' ' TYR . 83.2 t80 . . . . . 0 C--O 1.222 -0.367 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.97 172.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.5 p . . . . . 0 N--CA 1.445 -0.693 0 CA-C-O 120.877 0.37 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -67.81 -15.8 63.8 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 120.79 0.329 . . . . 0.0 110.117 177.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -83.02 -55.92 4.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.355 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -57.15 -40.96 78.27 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 121.335 0.588 . . . . 0.0 109.933 178.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.515 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 59.0 t80 -69.81 -34.63 73.97 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.929 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.46 ' OD2' ' HE3' ' A' ' 31' ' ' LYS . 36.6 t70 -68.64 -41.61 79.17 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -58.9 -47.2 85.82 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.424 173.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -56.56 -41.83 77.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.999 176.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.515 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 41.7 mtmt -63.96 -46.96 82.31 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.311 -0.156 . . . . 0.0 110.844 178.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.46 ' HE3' ' OD2' ' A' ' 27' ' ' ASP . 94.8 mttt -58.35 -43.45 88.35 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.51 0.672 . . . . 0.0 110.049 178.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -65.03 -48.26 74.48 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.01 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.553 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 19.8 ttt180 -64.2 -32.99 74.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.96 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -63.7 -41.38 98.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.217 0.532 . . . . 0.0 109.84 175.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.5 t -63.55 -32.58 74.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.834 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.541 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 6.9 mpt_? -88.09 6.98 33.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.14 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.48 26.48 73.62 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.712 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.34 -17.77 58.67 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.853 -177.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -84.41 57.73 4.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.423 0.63 . . . . 0.0 110.741 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.554 ' HE1' ' OD2' ' A' ' 44' ' ' ASP . 20.8 t80 -141.66 104.8 4.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.345 -178.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.79 166.7 19.78 Favored 'General case' 0 C--N 1.312 -1.052 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.095 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -66.1 -31.12 52.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.371 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -65.77 -37.51 86.54 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.48 0.178 . . . . 0.0 111.48 -176.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.554 ' OD2' ' HE1' ' A' ' 40' ' ' TYR . 5.2 t70 -64.92 -32.48 74.21 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 175.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 94.0 t80 . . . . . 0 C--O 1.217 -0.653 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.525 174.028 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.7 p . . . . . 0 N--CA 1.438 -1.038 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -56.41 -33.04 65.42 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 118.201 0.455 . . . . 0.0 110.374 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -66.86 -54.94 17.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.435 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.92 -36.06 82.71 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.932 0.396 . . . . 0.0 110.217 -178.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.533 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 56.0 t80 -70.66 -33.94 71.49 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.291 178.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -65.66 -45.65 82.13 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 177.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -58.0 -42.87 86.11 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.529 173.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -58.92 -45.47 90.28 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.011 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 50.4 mtmt -60.68 -48.64 80.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.005 0.431 . . . . 0.0 109.962 176.177 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -56.07 -44.89 79.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.966 177.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -70.32 -38.78 74.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.132 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.54 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 27.7 ttt180 -69.09 -35.83 76.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.408 177.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.67 -40.04 90.63 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.078 175.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -60.98 -34.12 74.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.428 177.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.502 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 7.4 mpt_? -87.84 5.94 37.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.305 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.83 21.7 76.7 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.453 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.19 -19.58 50.89 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.085 -177.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -83.04 61.78 6.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.067 0.46 . . . . 0.0 110.767 -178.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.543 ' HH ' ' HA ' ' A' ' 45' ' ' TYR . 22.1 t80 -148.54 103.77 3.44 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.907 -177.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.34 167.79 19.1 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.588 0.709 . . . . 0.0 111.163 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.5 tp -67.16 -22.81 29.65 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.036 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.911 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -73.79 -33.07 64.06 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.17 -0.212 . . . . 0.0 110.751 -177.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -70.15 -37.49 75.25 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 175.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.543 ' HA ' ' HH ' ' A' ' 40' ' ' TYR . 59.7 t80 . . . . . 0 C--O 1.222 -0.347 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.44 174.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.9 p . . . . . 0 N--CA 1.443 -0.787 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -58.46 -34.8 71.27 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.307 178.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.77 -51.71 45.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.005 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -61.71 -42.54 99.08 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.24 0.543 . . . . 0.0 110.201 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.61 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 57.4 t80 -66.43 -36.55 83.07 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.324 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -64.26 -45.92 86.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.403 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -62.14 -38.51 89.23 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.431 176.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -61.46 -44.23 97.47 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.582 176.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.61 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 49.1 mtmt -63.5 -45.47 90.54 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.252 0.549 . . . . 0.0 109.775 176.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -54.78 -45.47 74.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.507 176.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -70.41 -43.08 70.74 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.742 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.541 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 40.8 ttt180 -66.39 -32.76 74.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.466 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -61.17 -40.75 95.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.544 174.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.7 t -63.61 -28.47 69.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.602 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.507 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 7.0 mpt_? -93.73 11.77 27.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.196 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.04 27.87 73.21 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.623 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.27 -14.69 63.97 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.139 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -90.86 72.1 6.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.241 0.543 . . . . 0.0 111.158 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.541 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 33.5 t80 -150.48 105.16 3.29 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.509 -177.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.36 163.24 27.66 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.366 0.603 . . . . 0.0 111.016 -178.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -69.25 -31.23 48.96 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.976 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.627 178.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -70.22 -28.77 65.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 -177.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -63.69 -44.14 94.54 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 172.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 90.0 t80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.983 176.831 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.7 p . . . . . 0 N--CA 1.44 -0.947 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -58.56 -38.25 77.43 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 120.512 0.196 . . . . 0.0 111.321 -176.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -69.7 -47.52 62.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.559 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -62.48 -40.94 98.29 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 121.23 0.538 . . . . 0.0 109.733 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.568 ' CE2' ' HD2' ' A' ' 30' ' ' LYS . 62.1 t80 -69.06 -39.92 78.84 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.713 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.498 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 25.5 t70 -58.93 -46.58 87.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.19 0.519 . . . . 0.0 109.933 176.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -60.47 -47.49 85.88 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.935 177.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.447 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 45.6 t80 -54.4 -43.82 71.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.1 176.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.568 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 21.7 mtpp -62.09 -51.35 68.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.872 178.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -58.01 -37.98 75.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.282 0.563 . . . . 0.0 110.528 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -68.87 -48.69 62.79 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.095 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.51 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 21.3 ttt180 -64.51 -35.83 82.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.636 -178.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.52 -40.0 93.07 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.104 175.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.8 t -66.59 -30.03 70.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.778 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.483 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 6.3 mpt_? -89.93 8.2 33.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.288 178.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.75 29.11 74.22 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.536 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.39 -23.3 34.33 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.492 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.0 mttt -83.25 63.52 7.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.431 0.634 . . . . 0.0 110.902 -178.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.549 ' HH ' ' HA ' ' A' ' 45' ' ' TYR . 26.5 t80 -146.48 96.75 2.82 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.208 -0.906 . . . . 0.0 108.967 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.31 167.26 21.99 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.25 -177.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.447 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . 3.0 tp -62.76 -34.42 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.607 177.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -62.75 -40.41 97.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.196 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -59.39 -32.04 69.79 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.429 0.633 . . . . 0.0 109.613 176.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.549 ' HA ' ' HH ' ' A' ' 40' ' ' TYR . 86.2 t80 . . . . . 0 C--O 1.216 -0.68 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.013 176.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.4 p . . . . . 0 N--CA 1.439 -1.009 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -55.79 -39.61 71.54 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 120.559 0.218 . . . . 0.0 111.018 -178.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -69.27 -40.87 77.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.751 -177.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -66.46 -43.29 85.9 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 176.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.56 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 61.8 t80 -67.44 -37.85 83.62 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.666 -178.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -63.27 -45.89 89.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.015 0.436 . . . . 0.0 109.979 176.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.443 ' HA ' ' CE ' ' A' ' 31' ' ' LYS . 53.8 tt0 -58.17 -43.78 87.65 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.472 175.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -57.95 -46.49 85.01 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.216 176.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.56 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 47.8 mtmt -60.08 -49.11 78.94 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 120.555 0.217 . . . . 0.0 110.961 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.443 ' CE ' ' HA ' ' A' ' 28' ' ' GLU . 40.5 mtmt -60.12 -41.24 92.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.597 178.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -64.17 -45.07 90.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.903 176.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.537 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 54.7 ttt180 -64.58 -34.18 77.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.484 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -64.58 -39.78 94.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.3 175.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.9 m -64.46 -21.39 66.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.064 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.481 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 3.0 mpt_? -100.75 9.22 42.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.843 178.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.67 30.21 77.32 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.611 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.6 -21.63 40.01 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.163 -178.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -80.03 63.44 4.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.936 0.398 . . . . 0.0 110.757 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.537 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 23.6 t80 -149.98 101.52 3.03 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 -177.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.5 163.9 26.48 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.385 -177.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.5 tp -60.42 -35.5 63.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.872 176.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -62.98 -38.85 92.78 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 120.85 0.357 . . . . 0.0 111.083 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -60.03 -40.86 90.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.643 176.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 81.6 t80 . . . . . 0 C--O 1.215 -0.75 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.713 175.888 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.6 p . . . . . 0 N--CA 1.441 -0.902 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.05 -32.42 69.75 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.737 0.303 . . . . 0.0 110.997 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -79.67 -38.8 32.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.657 -176.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -67.62 -41.37 84.04 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 175.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.444 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 49.9 t80 -68.94 -31.07 69.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.563 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.46 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 24.1 t70 -69.01 -45.03 71.54 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 176.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -56.53 -46.0 80.84 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.355 173.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.418 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 62.9 t80 -57.95 -44.05 86.75 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.068 176.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.46 ' CE ' ' HA ' ' A' ' 27' ' ' ASP . 57.1 mtmt -62.66 -49.93 73.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.498 0.189 . . . . 0.0 111.075 178.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -59.02 -42.43 90.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.17 0.51 . . . . 0.0 110.351 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.5 ' O ' ' HD2' ' A' ' 36' ' ' ARG . 78.7 mtt180 -63.15 -51.36 66.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.991 175.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.517 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 41.0 ttt180 -62.64 -38.64 91.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.422 -176.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.32 -41.51 97.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.917 0.389 . . . . 0.0 110.066 176.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.9 t -63.05 -34.48 77.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.541 178.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.5 ' HD2' ' O ' ' A' ' 32' ' ' ARG . 1.1 mpt_? -85.65 12.74 8.18 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.484 179.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.58 28.39 73.56 Favored Glycine 0 CA--C 1.517 0.16 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.675 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.06 -18.24 46.02 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.251 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -83.5 57.8 4.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.365 0.602 . . . . 0.0 110.587 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.517 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 18.0 t80 -139.37 102.29 4.45 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.359 -178.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.15 165.63 20.36 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.077 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.418 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -66.67 -34.1 67.81 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.096 -176.577 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -63.09 -36.06 82.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.592 0.234 . . . . 0.0 110.736 -176.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.425 ' OD1' ' HE1' ' A' ' 40' ' ' TYR . 4.0 t70 -64.84 -34.87 79.39 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.885 -0.784 . . . . 0.0 108.885 176.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 87.3 t80 . . . . . 0 C--O 1.222 -0.366 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.482 174.605 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.8 p . . . . . 0 N--CA 1.442 -0.853 0 N-CA-C 110.475 -0.195 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -58.37 -37.65 75.65 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 121.094 -0.242 . . . . 0.0 111.583 -176.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -65.59 -52.72 50.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.712 0.292 . . . . 0.0 110.987 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -59.8 -46.67 88.49 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.247 0.546 . . . . 0.0 110.027 178.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.473 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 51.6 t80 -65.2 -28.56 69.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.867 -178.054 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.42 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 27.8 t70 -73.68 -41.0 63.25 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -64.04 -37.3 86.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.551 0.691 . . . . 0.0 109.237 173.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -64.05 -46.99 81.91 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.836 -1.074 . . . . 0.0 110.833 175.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 57.3 mtmt -59.51 -46.72 88.0 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 121.1 0.476 . . . . 0.0 109.784 175.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -53.09 -54.38 36.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.653 176.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.408 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 91.4 mtt180 -63.33 -37.67 88.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.503 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.586 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 19.9 ttt180 -72.67 -31.38 65.03 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.418 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -64.34 -41.09 96.96 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 174.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.1 m -60.82 -18.45 55.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.582 177.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.486 ' HD3' ' CD1' ' A' ' 40' ' ' TYR . 7.0 mpt_? -108.91 9.2 26.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.309 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.21 32.45 80.68 Favored Glycine 0 C--N 1.329 0.165 0 C-N-CA 121.1 -0.571 . . . . 0.0 112.483 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.19 -19.75 52.64 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.254 -178.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -79.67 55.97 2.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.314 0.578 . . . . 0.0 111.028 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.586 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 18.9 t80 -147.46 102.05 3.42 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -178.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.48 172.45 10.99 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.211 -178.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.5 tp -60.89 -33.5 55.77 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.156 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.75 -39.92 94.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.658 0.266 . . . . 0.0 111.111 -178.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.43 -38.31 83.67 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.45 0.643 . . . . 0.0 109.316 175.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.566 ' HA ' ' HH ' ' A' ' 40' ' ' TYR . 93.0 t80 . . . . . 0 C--O 1.215 -0.717 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.453 176.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.5 p . . . . . 0 N--CA 1.443 -0.81 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -56.89 -39.2 73.95 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.513 0.197 . . . . 0.0 111.19 -177.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -68.09 -40.9 82.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.653 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -64.25 -47.86 78.02 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.333 0.587 . . . . 0.0 109.764 176.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.582 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 70.0 t80 -64.33 -37.92 89.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.866 -177.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.469 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 36.2 t70 -62.97 -43.93 97.44 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.21 178.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -62.05 -44.63 96.27 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.552 0.691 . . . . 0.0 109.709 176.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -57.31 -42.08 81.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.165 176.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.582 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 50.3 mtmt -61.76 -50.59 71.78 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 120.857 0.361 . . . . 0.0 110.238 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -55.25 -45.75 76.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.516 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.547 ' O ' ' HD2' ' A' ' 36' ' ' ARG . 98.7 mtt180 -64.29 -44.96 90.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.113 178.032 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.565 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 13.4 ttt180 -63.9 -41.79 97.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -62.91 -39.41 94.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.917 0.389 . . . . 0.0 110.276 175.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.0 t -61.84 -28.28 69.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.578 177.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.605 ' HD3' ' CD1' ' A' ' 40' ' ' TYR . 2.1 mpt_? -94.81 16.55 15.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 177.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.29 25.79 71.35 Favored Glycine 0 C--N 1.333 0.397 0 C-N-CA 121.376 -0.44 . . . . 0.0 112.874 177.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.96 -15.28 62.21 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.07 -178.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -86.93 69.68 10.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.101 0.476 . . . . 0.0 110.378 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.605 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 13.9 t80 -152.87 107.04 3.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.824 -177.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.89 165.92 21.37 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.489 -0.485 . . . . 0.0 110.657 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -64.58 -33.41 62.93 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.004 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.937 176.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.79 -37.42 86.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.978 0.418 . . . . 0.0 110.311 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -65.14 -33.89 77.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.708 175.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.568 ' HA ' ' HH ' ' A' ' 40' ' ' TYR . 84.9 t80 . . . . . 0 C--O 1.218 -0.59 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.284 174.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.4 p . . . . . 0 N--CA 1.443 -0.812 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -56.87 -38.72 73.12 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.619 0.247 . . . . 0.0 111.017 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -69.26 -46.56 66.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 -178.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -59.75 -48.5 81.42 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.431 0.634 . . . . 0.0 109.971 176.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.588 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 60.3 t80 -63.71 -33.34 75.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.708 -177.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.447 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 33.4 t70 -69.82 -42.73 73.25 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.332 178.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -60.92 -40.76 94.41 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 174.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -60.72 -47.47 86.14 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.867 175.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.588 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 58.4 mtmt -59.93 -48.01 83.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.207 0.527 . . . . 0.0 109.776 176.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -52.31 -48.03 65.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.764 176.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -69.52 -39.92 77.25 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.644 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.595 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 14.8 ttt180 -67.89 -40.33 83.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.08 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -62.24 -37.2 84.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.948 0.404 . . . . 0.0 109.997 175.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.0 t -66.13 -22.29 66.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.728 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.564 ' HD3' ' CD1' ' A' ' 40' ' ' TYR . 5.7 mpt_? -99.19 12.2 36.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.846 0.355 . . . . 0.0 110.721 176.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.61 26.0 73.81 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 121.132 -0.556 . . . . 0.0 112.842 178.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.97 -9.6 76.25 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.43 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.0 68.96 4.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.477 0.656 . . . . 0.0 109.992 178.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.595 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 20.1 t80 -152.48 101.44 2.66 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.025 -177.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.59 168.45 19.76 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.191 -177.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.33 -32.55 56.9 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.897 0 C-N-CA 120.306 -0.558 . . . . 0.0 109.882 177.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.34 -35.91 82.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.65 0.262 . . . . 0.0 110.953 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -63.31 -32.77 74.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.396 0.617 . . . . 0.0 109.444 174.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.548 ' HA ' ' HH ' ' A' ' 40' ' ' TYR . 90.3 t80 . . . . . 0 C--O 1.216 -0.697 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.543 175.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.4 p . . . . . 0 N--CA 1.444 -0.748 0 N-CA-C 110.584 -0.154 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -58.24 -36.76 73.68 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.205 -176.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.5 -43.7 72.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.755 -0.202 . . . . 0.0 111.265 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -63.19 -45.34 92.2 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.106 0.479 . . . . 0.0 109.828 177.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.499 ' CE2' ' HD2' ' A' ' 30' ' ' LYS . 62.6 t80 -67.39 -40.55 85.68 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.522 -178.246 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.472 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 24.3 t70 -61.43 -45.73 93.06 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -59.75 -49.47 77.61 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.886 176.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.412 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 11.9 t80 -49.69 -46.74 50.32 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.191 174.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.499 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 21.6 mtpp -61.43 -46.46 90.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.288 178.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -63.62 -40.13 96.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.415 0.626 . . . . 0.0 110.394 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -67.77 -39.5 84.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.635 177.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.561 ' HA ' ' HB3' ' A' ' 40' ' ' TYR . 30.5 ttt180 -67.38 -35.57 79.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.387 176.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -61.06 -40.04 92.15 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.078 176.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.9 m -66.8 -18.09 65.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.401 179.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.543 ' HD3' ' CD1' ' A' ' 40' ' ' TYR . 4.8 mpt_? -102.79 11.67 37.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.636 177.039 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.32 30.91 77.49 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.405 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.34 -21.62 39.51 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.425 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -79.53 61.93 3.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.201 0.524 . . . . 0.0 111.403 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.561 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . 25.1 t80 -154.59 94.92 1.73 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.523 -0.762 . . . . 0.0 108.967 -175.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.4 p -76.8 174.31 10.65 Favored 'General case' 0 CA--C 1.492 -1.275 0 C-N-CA 119.3 -0.96 . . . . 0.0 111.093 -176.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.412 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . 5.1 tp -59.43 -35.47 58.84 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.784 0 CA-C-N 114.563 -1.199 . . . . 0.0 109.571 177.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -66.33 -39.56 89.34 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.271 -178.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -60.78 -33.38 72.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.402 0.62 . . . . 0.0 109.434 177.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.543 ' HA ' ' HH ' ' A' ' 40' ' ' TYR . 89.6 t80 . . . . . 0 C--O 1.214 -0.782 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.243 175.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.3 p . . . . . 0 N--CA 1.445 -0.724 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -55.71 -41.87 74.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.486 0.184 . . . . 0.0 111.209 -175.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -62.19 -47.69 83.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.412 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -61.05 -47.8 84.72 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.401 0.62 . . . . 0.0 109.893 178.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.516 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 67.7 t80 -63.68 -31.23 72.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.59 -178.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.461 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 25.4 t70 -67.45 -45.84 74.83 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.179 177.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -60.85 -41.81 96.6 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 175.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -57.28 -44.77 84.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.159 175.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.516 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 57.7 mtmt -61.6 -47.83 83.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.033 0.444 . . . . 0.0 110.739 178.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -60.12 -37.84 81.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.676 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -72.87 -37.53 67.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.126 177.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.562 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 35.5 ttt180 -69.97 -36.11 74.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.671 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -60.02 -43.8 95.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.033 173.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.0 t -58.33 -32.34 68.41 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.208 178.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.551 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 9.0 mpt_? -91.58 8.4 36.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.175 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.28 29.01 73.81 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 121.202 -0.523 . . . . 0.0 112.471 179.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.38 -27.72 16.07 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.18 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -81.81 70.38 8.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.396 0.617 . . . . 0.0 110.72 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.562 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 30.6 t80 -146.81 108.03 4.23 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.478 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.42 173.13 12.31 Favored 'General case' 0 CA--C 1.499 -0.997 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.569 178.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -71.82 -27.09 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.507 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.082 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.94 -35.16 77.95 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.637 -176.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.462 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 5.9 t70 -69.14 -34.37 74.91 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 177.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 91.4 t80 . . . . . 0 C--O 1.213 -0.845 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.237 173.459 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.8 p . . . . . 0 N--CA 1.444 -0.753 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.23 -34.04 70.0 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.415 -176.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -65.74 -52.4 51.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 111.055 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -62.66 -43.58 98.46 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.334 0.588 . . . . 0.0 110.34 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.518 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 55.6 t80 -67.29 -29.15 68.66 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.367 -179.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.437 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 36.8 t70 -69.51 -45.77 68.13 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 177.271 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.422 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 18.3 tp10 -58.94 -43.95 91.3 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 175.13 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -56.49 -44.68 80.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.018 174.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 56.9 mtmt -62.77 -46.55 87.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.527 0.203 . . . . 0.0 111.018 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.422 ' HE2' ' HA ' ' A' ' 28' ' ' GLU . 43.8 mtmt -60.3 -45.81 92.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.214 0.53 . . . . 0.0 110.202 177.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -60.98 -40.67 94.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.143 177.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.545 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 20.2 ttt180 -70.2 -33.04 71.21 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.411 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -64.21 -39.69 94.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.235 0.541 . . . . 0.0 109.694 171.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.3 t -61.14 -23.78 65.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.741 178.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.516 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 9.5 mpt_? -104.34 10.59 35.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.263 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.53 30.56 74.85 Favored Glycine 0 CA--C 1.518 0.227 0 C-N-CA 121.079 -0.582 . . . . 0.0 112.509 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.57 -25.18 28.98 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.633 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.89 65.37 7.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.336 0.588 . . . . 0.0 110.972 -178.08 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.545 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 35.7 t80 -145.96 109.87 4.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.045 -179.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.48 164.52 16.11 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.134 -179.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 42' ' ' ILE . 3.1 tp -62.96 -29.57 47.49 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.419 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.85 -42.3 97.61 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.317 0.103 . . . . 0.0 111.118 -177.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.434 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 7.8 t70 -61.06 -37.27 82.05 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 178.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 92.0 t80 . . . . . 0 N--CA 1.448 -0.525 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.194 174.036 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 45.9 p . . . . . 0 N--CA 1.441 -0.918 0 N-CA-C 110.21 -0.292 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -51.16 -42.38 60.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 123.242 0.339 . . . . 0.0 111.79 -173.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -63.09 -47.55 82.39 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 111.697 0.258 . . . . 0.0 111.697 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -63.63 -42.7 98.14 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 121.184 0.516 . . . . 0.0 109.974 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.648 ' CE2' ' HD2' ' A' ' 30' ' ' LYS . 74.6 t80 -66.83 -39.23 87.58 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.43 -179.189 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.518 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 23.1 t70 -59.41 -47.15 86.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.151 0.5 . . . . 0.0 110.217 175.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.5 ' HA ' ' CE ' ' A' ' 31' ' ' LYS . 41.1 tt0 -61.28 -44.79 96.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.66 178.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.459 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 37.2 t80 -55.08 -45.94 75.42 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.924 -1.034 . . . . 0.0 111.088 174.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.648 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 22.3 mtpp -61.26 -48.25 82.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.934 178.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.5 ' CE ' ' HA ' ' A' ' 28' ' ' GLU . 52.7 mtmt -59.08 -45.02 91.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.177 0.513 . . . . 0.0 110.275 177.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.45 ' O ' ' HD2' ' A' ' 36' ' ' ARG . 84.9 mtt180 -61.19 -48.78 79.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.15 176.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.542 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 33.8 ttt180 -62.44 -37.38 85.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.691 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.63 -45.69 91.22 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.049 174.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 70.9 m -63.91 -29.47 70.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.887 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.5 ' HD3' ' CD1' ' A' ' 40' ' ' TYR . 3.4 mpt_? -88.44 14.59 9.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 111.011 177.296 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.34 27.89 72.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.466 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.46 -23.24 33.02 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 121.178 -0.534 . . . . 0.0 112.056 -178.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.93 71.32 10.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.335 0.588 . . . . 0.0 110.833 -177.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.542 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 21.9 t80 -152.45 99.05 2.45 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.45 169.07 18.94 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.987 -178.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.459 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . 5.6 tp -62.52 -37.43 78.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 177.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -62.49 -37.8 87.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.258 -177.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -57.88 -43.35 85.97 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.364 0.602 . . . . 0.0 109.469 175.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 82.7 t80 . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.573 177.268 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.1 p . . . . . 0 N--CA 1.442 -0.871 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -54.64 -39.77 68.33 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.413 0.149 . . . . 0.0 111.265 -174.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.61 -50.36 72.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.356 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -61.74 -45.68 92.87 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.24 0.543 . . . . 0.0 110.191 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.567 ' CE2' ' HD2' ' A' ' 30' ' ' LYS . 75.3 t80 -63.82 -37.18 86.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.515 -178.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.526 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 33.6 t70 -60.64 -45.36 94.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.455 176.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -62.13 -45.46 93.36 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.663 177.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -55.24 -44.44 75.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.111 176.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.567 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 22.9 mtpp -60.13 -49.29 78.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.74 177.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -56.89 -44.01 81.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.44 0.638 . . . . 0.0 110.322 178.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -68.93 -42.33 76.91 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.361 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.554 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 39.4 ttt180 -65.4 -37.76 87.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.844 179.048 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -61.93 -42.78 99.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.047 0.451 . . . . 0.0 110.139 175.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.7 t -60.69 -38.69 85.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.998 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.506 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 3.5 mpt_? -81.37 4.07 22.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.797 0.332 . . . . 0.0 111.331 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.42 31.65 63.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.551 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.32 -17.57 42.38 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.189 -0.529 . . . . 0.0 111.936 -179.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -85.2 63.24 7.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.354 0.597 . . . . 0.0 110.174 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.554 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 16.2 t80 -146.01 103.87 3.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.639 -178.245 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.86 169.28 18.46 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.681 179.02 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 tp -69.11 -34.53 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.117 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -66.78 -34.1 77.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.732 0.301 . . . . 0.0 110.915 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -64.3 -35.36 80.61 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 174.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.487 ' HA ' ' OH ' ' A' ' 40' ' ' TYR . 81.9 t80 . . . . . 0 C--O 1.221 -0.441 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.067 173.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.652 0 N-CA-C 111.888 -0.485 . . . . 0.0 111.888 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.406 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -155.27 146.65 16.78 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 179.426 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 12' ' ' ARG . 2.7 Cg_endo -79.55 63.3 8.71 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.764 2.309 . . . . 0.0 112.26 -178.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.23 98.21 2.35 Favored Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.6 m -59.85 -38.63 77.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.034 0.445 . . . . 0.0 110.888 -178.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -136.01 118.67 16.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.42 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.54 ' HD3' ' N ' ' A' ' 17' ' ' ARG . 0.8 OUTLIER -97.54 174.88 6.44 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.585 -0.446 . . . . 0.0 109.921 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.412 ' O ' ' HB3' ' A' ' 19' ' ' ARG . 3.7 p -140.68 -33.99 0.53 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 178.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' ' 18' ' ' THR . 54.5 ttt180 70.03 -56.03 0.59 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.423 0.689 . . . . 0.0 111.005 -174.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.07 56.87 0.03 OUTLIER Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 110.148 -1.181 . . . . 0.0 110.148 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.596 ' HG ' ' HB2' ' A' ' 25' ' ' GLU . 1.2 mp -93.93 117.43 30.09 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 121.264 0.554 . . . . 0.0 110.971 -175.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.3 p -80.98 175.53 10.61 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.803 175.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -51.22 -41.74 60.49 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.665 0.269 . . . . 0.0 111.46 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -66.6 -49.62 65.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.969 -176.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.596 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 13.3 mm-40 -65.35 -36.43 84.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.105 0.478 . . . . 0.0 109.844 179.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.571 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 68.2 t80 -71.0 -36.84 72.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.534 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.409 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 11.8 t70 -66.64 -42.2 87.1 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -59.25 -45.32 91.49 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.435 173.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -58.81 -43.53 90.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.191 176.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 53.0 mtmt -61.34 -46.93 88.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.783 0.325 . . . . 0.0 110.3 178.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -57.86 -47.76 81.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.4 0.619 . . . . 0.0 110.686 176.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 35' ' ' SER . 83.7 mtt180 -65.73 -34.01 77.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.196 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.571 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 22.6 ttt180 -73.3 -37.38 66.22 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 177.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.69 -37.35 86.1 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 32' ' ' ARG . 44.7 t -58.06 -30.7 66.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.808 175.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.541 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 8.4 mpt_? -97.45 13.42 29.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.349 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.61 27.3 70.75 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.755 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.9 -12.81 69.11 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.397 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -87.57 60.12 5.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.293 0.568 . . . . 0.0 110.492 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.579 ' HH ' ' HA ' ' A' ' 45' ' ' TYR . 14.5 t80 -145.17 98.22 3.13 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.081 -178.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.62 168.22 19.14 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.236 -0.585 . . . . 0.0 109.911 -176.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.508 HD12 HD21 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -62.06 -33.75 59.92 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.917 0 C-N-CA 120.109 -0.636 . . . . 0.0 110.113 -178.77 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -66.98 -32.79 74.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.694 0.283 . . . . 0.0 110.779 -177.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -65.04 -39.99 94.15 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 173.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.579 ' HA ' ' HH ' ' A' ' 40' ' ' TYR . 86.6 t80 -69.5 -45.58 68.59 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.568 175.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.492 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 95.2 mt -62.28 -33.14 74.08 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 122.948 0.499 . . . . 0.0 110.73 -178.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 50' ' ' GLU . . . -64.84 -46.76 80.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.892 175.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -79.33 -18.36 52.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.295 0.569 . . . . 0.0 109.742 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.433 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 54.1 ttt85 -68.19 -38.56 82.14 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 173.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 51.3 mm-40 -60.17 -17.83 43.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.463 172.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.614 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 2.1 mmp_? -90.29 -52.65 4.82 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.914 174.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -50.0 -41.02 46.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.327 -176.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 49' ' ' ARG . 31.5 mt-10 -70.97 -34.53 71.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.048 0.451 . . . . 0.0 110.718 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -71.09 -32.4 69.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.828 0.823 . . . . 0.0 109.812 175.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 56.0 mt -90.12 -4.8 57.1 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.693 -1.14 . . . . 0.0 110.308 -176.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.8 tp -77.22 -24.16 51.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.176 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -134.93 161.2 35.94 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.515 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.438 ' N ' ' HD2' ' A' ' 58' ' ' ARG . 6.5 mpt_? 68.04 165.66 0.24 Allowed 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.557 0.535 . . . . 0.0 111.844 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.43 ' H ' ' HB ' ' A' ' 64' ' ' ILE . 5.2 t70 71.24 -66.48 0.29 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.68 175.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -67.82 -13.54 62.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.257 0.551 . . . . 0.0 111.071 -178.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -79.91 1.17 28.27 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.075 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 74.62 122.98 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.477 0 O-C-N 124.103 0.877 . . . . 0.0 112.275 176.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 71.73 44.36 0.5 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.541 175.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.43 ' HB ' ' H ' ' A' ' 59' ' ' ASP . 5.1 mp -121.67 -31.44 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.315 0.578 . . . . 0.0 110.207 173.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.554 ' CZ ' ' HA ' ' A' ' 69' ' ' PHE . 11.0 p90 -81.11 55.54 2.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.69 0.757 . . . . 0.0 110.982 -178.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 120.31 -159.1 15.28 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.244 -177.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -91.63 -4.97 54.65 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.829 0.347 . . . . 0.0 110.58 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -125.97 -174.77 13.97 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.425 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.554 ' HA ' ' CZ ' ' A' ' 65' ' ' PHE . 42.4 p90 -147.14 29.87 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.977 0.418 . . . . 0.0 110.513 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -56.07 -28.51 53.93 Favored Glycine 0 CA--C 1.518 0.252 0 CA-C-N 115.622 -0.717 . . . . 0.0 113.669 -174.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.9 tp -57.64 -38.85 75.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.812 0.339 . . . . 0.0 111.031 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -126.48 32.44 5.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.122 -178.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.57 132.36 45.37 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.036 178.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.7 p -73.16 80.87 1.28 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.44 0.638 . . . . 0.0 111.157 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -79.78 87.67 5.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.787 179.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -65.95 -48.11 72.43 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.8 t 52.24 67.53 0.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.307 176.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.1 mtm180 -95.0 -8.47 36.76 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.365 0.602 . . . . 0.0 109.896 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -118.2 87.3 2.69 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.748 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -149.23 99.14 2.9 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.488 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -80.26 -22.5 41.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.257 0.551 . . . . 0.0 109.997 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -136.87 80.69 1.83 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.345 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.65 -37.66 87.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.786 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 49.7 mmtm -122.45 123.79 42.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.395 176.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 44.0 tp . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.314 -0.85 . . . . 0.0 110.35 -178.034 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.637 0 N-CA-C 111.858 -0.497 . . . . 0.0 111.858 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 70.05 147.58 0.12 Allowed Pre-proline 0 N--CA 1.467 0.396 0 C-N-CA 123.37 0.668 . . . . 0.0 112.031 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.433 ' O ' ' HD3' ' A' ' 17' ' ' ARG . 85.8 Cg_endo -77.74 46.71 2.11 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.23 2.62 . . . . 0.0 112.604 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -114.88 8.24 21.62 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 111.393 -0.683 . . . . 0.0 111.393 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.8 m -76.75 -38.87 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.893 0.377 . . . . 0.0 111.029 -177.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -120.79 50.74 1.31 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.995 0.902 . . . . 0.0 108.8 176.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.553 ' O ' HG21 ' A' ' 42' ' ' ILE . 6.5 tpt180 -93.01 169.26 10.56 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.285 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.5 p -127.53 148.52 50.33 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.845 0.355 . . . . 0.0 110.308 173.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -127.2 48.5 2.2 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 176.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.35 43.35 88.25 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.238 -174.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.594 ' HG ' ' HB2' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -78.09 116.21 18.39 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 120.948 0.404 . . . . 0.0 110.163 -177.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.1 p -70.19 167.56 17.59 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.345 175.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -57.8 -34.02 69.18 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.333 -177.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -64.9 -49.35 70.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.737 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.594 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 24.2 mt-10 -63.9 -40.02 95.53 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.082 0.468 . . . . 0.0 110.151 178.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.576 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 64.0 t80 -67.5 -40.17 85.2 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.25 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.475 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 24.5 t70 -61.64 -45.82 92.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.88 176.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 33.1 tt0 -57.13 -47.93 79.91 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.563 174.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -53.25 -46.6 69.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.044 176.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.576 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 49.3 mtmt -60.85 -46.71 89.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.344 . . . . 0.0 110.708 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -62.02 -41.82 98.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.418 0.628 . . . . 0.0 110.39 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.511 HH22 ' CG ' ' A' ' 48' ' ' ASP . 38.4 mtp180 -67.33 -38.73 85.35 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.794 178.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.552 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 15.6 ttt180 -67.6 -39.5 84.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 177.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -61.19 -38.11 85.37 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.911 174.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.8 t -64.26 -23.34 67.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.924 177.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.535 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 5.8 mpt_? -99.38 8.0 45.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.932 178.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.15 29.98 75.98 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.417 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.75 -17.55 57.58 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.451 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.15 60.3 6.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.441 0.638 . . . . 0.0 110.508 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.552 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 20.0 t80 -148.85 105.25 3.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.512 -178.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.06 170.08 11.85 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 120.021 -0.671 . . . . 0.0 109.575 178.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.553 HG21 ' O ' ' A' ' 17' ' ' ARG . 0.9 OUTLIER -71.27 -26.7 27.36 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.29 0 C-N-CA 119.739 -0.785 . . . . 0.0 110.433 -179.655 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -62.28 -36.49 82.25 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 176.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -63.49 -44.88 93.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.445 173.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -62.0 -47.14 86.12 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.434 176.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 87.4 mt -64.9 -31.92 73.38 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.212 -176.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.94 -42.2 85.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.802 176.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.511 ' CG ' HH22 ' A' ' 32' ' ' ARG . 23.3 t70 -77.78 -30.53 51.43 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 176.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 72.1 ttt-85 -59.93 -43.34 95.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.496 174.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 8.7 mm-40 -51.92 -39.81 59.73 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.658 173.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.565 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 7.6 mtt-85 -75.73 -50.51 15.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.297 -179.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.716 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 32.2 mm-40 -53.93 -46.97 71.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.136 -177.101 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 49' ' ' ARG . 38.4 mt-10 -55.99 -40.65 73.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.911 0.386 . . . . 0.0 110.732 -178.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -68.79 -37.09 79.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.943 176.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 84.8 mt -87.71 -15.68 36.42 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.232 -0.894 . . . . 0.0 112.201 -170.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 97.4 mt -72.22 -45.14 61.47 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.897 0.38 . . . . 0.0 110.27 176.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.499 ' HA ' HG12 ' A' ' 64' ' ' ILE . 41.0 mt-10 -83.36 68.42 9.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.987 -177.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.533 ' O ' HD13 ' A' ' 64' ' ' ILE . 84.0 mtp180 -133.88 133.5 41.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.28 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -55.31 -32.63 62.62 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 114.988 -1.005 . . . . 0.0 112.323 -177.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -84.42 -8.93 58.81 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -178.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.81 -68.5 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.708 0.289 . . . . 0.0 111.12 -175.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.413 ' C ' HD11 ' A' ' 64' ' ' ILE . 6.3 tt0 -148.65 -151.06 0.37 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.55 -174.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.43 61.57 4.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.188 0.518 . . . . 0.0 111.858 -174.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.533 HD13 ' O ' ' A' ' 58' ' ' ARG . 5.3 mp -96.24 -24.67 4.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.663 0.744 . . . . 0.0 109.56 176.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -92.53 7.44 43.21 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.888 -178.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 177.58 -155.82 18.46 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.839 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -87.1 -28.71 22.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.202 0.525 . . . . 0.0 110.27 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -143.94 171.77 25.38 Favored Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -124.11 5.19 8.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.88 0.371 . . . . 0.0 110.79 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -79.52 37.9 2.07 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.242 177.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -97.04 71.87 2.47 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.3 mttm 53.79 53.87 10.71 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.93 -179.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -123.51 143.51 50.13 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.632 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 33.2 p -114.66 135.8 53.75 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.949 0.404 . . . . 0.0 110.493 177.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -105.53 0.56 26.74 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.649 0.738 . . . . 0.0 109.261 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -86.14 77.5 9.58 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.243 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.9 t -128.53 60.95 1.49 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.52 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -114.24 -8.26 12.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.504 -175.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -122.32 16.73 10.6 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.682 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.14 -19.51 47.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.801 -177.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -64.0 -43.22 96.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.708 178.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -93.36 59.53 3.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.362 0.601 . . . . 0.0 110.152 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -130.55 9.05 5.03 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.32 177.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' A' ' 84' ' ' LYS . 3.2 mptp? -118.72 48.05 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.805 -177.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.6 mp . . . . . 0 C--O 1.247 0.952 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.915 -177.31 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.489 -0.645 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.575 ' HG2' ' OD1' ' A' ' 43' ' ' ASP . 11.3 tpp180 -104.31 139.02 19.7 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.817 0.308 . . . . 0.0 110.9 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 12' ' ' ARG . 7.8 Cg_exo -69.97 79.7 0.99 Allowed 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 123.081 2.521 . . . . 0.0 111.733 173.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.4 98.97 1.41 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.226 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.4 m -64.79 -26.85 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.128 0.489 . . . . 0.0 110.771 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -142.17 124.57 15.66 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 177.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.447 ' HA ' HG21 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -95.21 -6.13 42.28 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.529 -174.33 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.523 ' O ' HD12 ' A' ' 21' ' ' LEU . 13.3 p -136.37 -63.76 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.384 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.421 ' HD3' HD23 ' A' ' 46' ' ' LEU . 32.9 ttt180 65.13 42.37 4.11 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.35 0.595 . . . . 0.0 109.84 -178.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.01 56.41 22.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.736 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.554 HD21 ' HA ' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -93.73 115.06 27.48 Favored 'General case' 0 CA--C 1.511 -0.519 0 CA-C-O 120.644 0.259 . . . . 0.0 110.332 176.601 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.4 p -74.05 177.47 5.67 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.283 175.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -66.74 -15.74 63.76 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.853 0.359 . . . . 0.0 110.651 178.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -82.46 -53.67 5.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.438 176.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.552 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 38.0 mm-40 -59.68 -40.38 87.62 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.424 0.63 . . . . 0.0 110.154 178.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.567 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 52.3 t80 -69.4 -34.08 73.97 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.7 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -65.75 -44.2 86.63 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.593 ' HA ' ' CE ' ' A' ' 31' ' ' LYS . 24.0 tp10 -58.11 -42.67 86.22 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.782 174.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.403 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 34.7 t80 -59.93 -43.92 94.66 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.223 176.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.567 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 51.2 mtmt -63.01 -48.49 78.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.496 0.189 . . . . 0.0 110.599 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.593 ' CE ' ' HA ' ' A' ' 28' ' ' GLU . 49.2 mtmt -54.96 -46.92 75.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.545 0.688 . . . . 0.0 110.076 177.035 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.506 ' O ' ' HD2' ' A' ' 36' ' ' ARG . 63.9 mtt180 -62.74 -47.68 82.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.413 178.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.522 ' HD2' ' O ' ' A' ' 40' ' ' TYR . 25.0 ttt180 -62.83 -40.42 97.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.891 -178.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -61.28 -40.88 95.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.013 0.435 . . . . 0.0 110.309 176.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.0 t -64.22 -28.44 69.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.715 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.506 ' HD2' ' O ' ' A' ' 32' ' ' ARG . 2.5 mpt_? -89.92 10.19 24.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.007 177.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.09 20.71 78.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.699 177.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.86 -7.46 76.85 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.199 -178.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -94.05 67.01 3.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.295 0.569 . . . . 0.0 110.202 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.556 ' HH ' ' HA ' ' A' ' 45' ' ' TYR . 20.2 t80 -150.78 101.94 2.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.76 -176.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.27 167.5 21.75 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.454 -179.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.6 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 1.4 tp -66.73 -35.43 74.76 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.136 178.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.575 ' OD1' ' HG2' ' A' ' 12' ' ' ARG . 4.2 p-10 -68.46 -28.61 67.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 123.148 0.28 . . . . 0.0 110.578 -177.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -65.97 -36.09 82.38 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 172.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.556 ' HA ' ' HH ' ' A' ' 40' ' ' TYR . 82.5 t80 -74.94 -47.43 29.69 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.572 175.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 88.0 mt -60.94 -28.52 69.03 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.775 -175.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.502 ' O ' ' HG2' ' A' ' 51' ' ' ARG . . . -73.58 -40.01 64.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.907 0.384 . . . . 0.0 110.804 177.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.476 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 25.0 t70 -77.76 -27.06 50.26 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.428 0.632 . . . . 0.0 109.439 176.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.545 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 36.6 ttt180 -68.7 -38.04 79.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.928 174.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -28.4 68.91 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.657 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 4.8 mmp_? -63.34 -49.13 75.13 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.176 172.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.653 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 38.3 mt-10 -55.38 -34.18 64.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.821 -1.082 . . . . 0.0 111.733 -175.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.47 -44.47 84.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.147 0.498 . . . . 0.0 110.719 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -77.14 -27.65 53.97 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.401 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 50.4 mt -85.08 -3.13 58.68 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.621 -176.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 97.2 mt -69.99 -59.47 2.89 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 172.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -91.57 95.93 10.2 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.979 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.419 ' O ' HD11 ' A' ' 64' ' ' ILE . 60.0 mtt85 -80.1 91.95 5.58 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.801 -176.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.404 ' HB3' ' HB3' ' A' ' 65' ' ' PHE . 25.1 m-20 -57.49 -36.26 71.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.067 176.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.99 -9.54 55.55 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.151 -0.931 . . . . 0.0 112.112 -178.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.27 -71.16 0.35 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.428 0.156 . . . . 0.0 111.074 -174.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -155.07 -95.63 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.966 -172.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -113.23 60.54 0.65 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.189 0.518 . . . . 0.0 111.181 -176.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.429 ' N ' HD12 ' A' ' 64' ' ' ILE . 4.7 mp -112.27 -33.54 2.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.641 -177.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.404 ' HB3' ' HB3' ' A' ' 59' ' ' ASP . 12.9 p90 -88.23 -4.18 58.75 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.076 -177.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 176.93 -160.63 27.91 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.124 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -88.75 -43.59 11.16 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.755 0.312 . . . . 0.0 111.206 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -76.27 134.5 15.81 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.791 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -124.68 31.5 5.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.059 0.457 . . . . 0.0 111.31 -177.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.59 38.49 2.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.01 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 38.3 tp -90.57 -75.91 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.76 0.314 . . . . 0.0 110.343 -177.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -103.41 -4.61 23.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.96 0.41 . . . . 0.0 110.78 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.17 3.92 9.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.383 176.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 p -73.89 -72.08 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.051 177.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -150.29 65.93 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.992 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -123.75 14.08 9.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.896 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.9 m -66.84 111.45 3.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.492 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.406 ' NE ' ' HA ' ' A' ' 78' ' ' ARG . 4.7 mmp_? -75.27 127.71 33.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.707 -177.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm 59.0 40.35 22.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.265 178.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.59 101.09 12.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.703 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 60.61 68.61 0.74 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.136 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.467 ' HG3' ' HB2' ' A' ' 85' ' ' LEU . 79.3 ttt180 -156.53 90.98 1.2 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.052 176.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.72 -63.16 1.32 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.916 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -123.47 78.81 1.63 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.321 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.467 ' HB2' ' HG3' ' A' ' 82' ' ' ARG . 97.4 mt . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.412 -0.804 . . . . 0.0 109.903 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.637 0 N-CA-C 111.831 -0.508 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.486 ' HG2' ' H ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -155.04 148.64 18.66 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -177.88 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -75.13 3.82 5.34 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.998 2.466 . . . . 0.0 112.158 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.486 ' H ' ' HG2' ' A' ' 12' ' ' ARG . . . -73.85 5.59 23.73 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.802 -0.636 . . . . 0.0 112.814 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.7 m -67.02 -20.39 26.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.472 0.654 . . . . 0.0 110.098 173.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -131.04 55.43 1.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 174.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -84.77 122.46 29.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.165 -174.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 p -62.65 -21.24 65.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.076 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.441 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 70.1 ttt180 65.0 20.51 12.12 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.682 0.753 . . . . 0.0 110.012 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.28 24.55 51.11 Favored Glycine 0 N--CA 1.444 -0.802 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.054 -177.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.651 ' HG ' ' HB2' ' A' ' 25' ' ' GLU . 0.9 OUTLIER -57.79 124.37 18.93 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.05 0.452 . . . . 0.0 110.843 178.587 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.0 p -80.58 168.82 18.45 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.921 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -54.42 -39.72 67.6 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 123.002 0.188 . . . . 0.0 111.426 -175.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.19 -38.8 88.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.603 0.24 . . . . 0.0 111.452 -177.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.651 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 27.6 mt-10 -73.01 -46.26 53.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.315 0.579 . . . . 0.0 109.703 177.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.546 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 59.9 t80 -64.91 -33.04 75.08 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.3 -178.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.03 -45.78 76.44 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.761 177.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -57.23 -44.12 83.5 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 174.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.406 ' HB3' ' O ' ' A' ' 26' ' ' TYR . 23.6 t80 -56.7 -45.51 81.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.2 175.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 54.1 mtmt -61.49 -46.8 88.48 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 120.735 0.303 . . . . 0.0 110.741 178.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -59.14 -44.82 92.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.331 0.586 . . . . 0.0 110.333 177.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.33 -42.77 92.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.052 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.541 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 15.0 ttt180 -63.0 -39.03 93.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.257 178.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -62.73 -37.85 88.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.289 174.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.6 t -69.75 -26.11 64.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.853 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.497 ' HD3' ' CG ' ' A' ' 40' ' ' TYR . 5.9 mpt_? -91.75 6.45 45.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.948 176.135 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.49 26.55 73.96 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.83 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.94 -20.95 47.64 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.599 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.19 62.92 7.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.427 0.632 . . . . 0.0 110.671 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.541 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 16.4 t80 -144.33 102.51 3.85 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.522 -179.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.81 171.55 13.01 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 120.454 -0.498 . . . . 0.0 109.947 178.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.553 HD13 HD21 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -70.67 -31.15 45.11 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.958 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.46 -177.613 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.89 -37.97 80.91 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.141 -0.224 . . . . 0.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.425 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 4.9 t70 -68.34 -36.59 79.48 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.211 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.461 ' CE2' HD22 ' A' ' 21' ' ' LEU . 78.7 t80 -67.3 -44.06 80.17 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.928 173.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.563 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 92.3 mt -63.45 -34.12 77.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.013 -177.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 50' ' ' GLU . . . -68.14 -40.87 82.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.661 0.267 . . . . 0.0 110.92 177.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.574 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 29.0 t70 -72.01 -37.06 69.87 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.082 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 79.8 ttt-85 -57.85 -40.38 79.98 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.511 176.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.563 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 11.5 mm-40 -52.02 -34.02 41.17 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.54 173.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.506 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 27.4 mtt-85 -87.9 -33.52 18.48 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.086 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.687 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 33.9 mt-10 -61.77 -30.66 70.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.167 -174.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -58.1 -37.7 75.04 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.609 0.226 . . . . 0.0 111.609 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 13.0 pt-20 -87.07 -17.88 31.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.298 0.57 . . . . 0.0 110.254 177.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 83.7 mt -90.5 1.17 56.94 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.796 -178.16 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.687 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 94.8 mt -86.15 -3.42 58.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.089 0.471 . . . . 0.0 109.879 175.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.44 ' HA ' HG12 ' A' ' 64' ' ' ILE . 42.8 mt-10 -137.75 88.62 2.34 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.011 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -124.87 -60.93 1.34 Allowed 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 119.659 -0.816 . . . . 0.0 111.366 177.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.4 t70 174.65 -38.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.451 0.643 . . . . 0.0 110.535 -172.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -90.38 -24.96 20.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.73 -170.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.46 ' CD ' ' H ' ' A' ' 61' ' ' GLU . 0.8 OUTLIER -92.44 -26.57 17.94 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -169.216 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.412 ' C ' HD11 ' A' ' 64' ' ' ILE . 8.7 mt-10 -163.67 -168.27 1.61 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.938 0.399 . . . . 0.0 111.21 -177.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.05 67.78 5.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.661 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.44 HG12 ' HA ' ' A' ' 57' ' ' GLU . 5.4 mp -95.71 -19.63 6.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.836 0.827 . . . . 0.0 109.54 175.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -95.49 8.49 43.14 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.939 -178.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 173.52 -151.04 12.68 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.32 -178.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -101.6 -3.0 29.16 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.89 0.376 . . . . 0.0 110.882 -177.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -160.71 165.67 35.19 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.993 177.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -130.08 31.61 4.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.137 0.494 . . . . 0.0 109.771 177.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.68 -19.75 60.93 Favored Glycine 0 CA--C 1.518 0.233 0 CA-C-N 115.723 -0.671 . . . . 0.0 113.493 -174.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.3 pp -84.22 0.5 48.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.864 0.332 . . . . 0.0 111.52 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -140.33 152.18 45.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.82 0.343 . . . . 0.0 110.213 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -127.2 97.7 5.02 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.4 m -63.31 110.93 2.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.811 -178.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -90.93 65.45 5.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.756 -176.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.59 -1.97 25.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.279 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.5 p -124.52 34.91 4.91 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.352 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -53.31 -40.93 65.16 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.845 -173.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -122.41 28.26 7.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.242 0.544 . . . . 0.0 110.183 178.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -108.37 -63.3 1.34 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.865 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -148.78 18.51 1.01 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.059 -177.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -113.9 48.86 1.04 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.416 0.627 . . . . 0.0 109.549 -177.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.73 -30.24 66.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.808 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -92.81 84.26 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.303 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 58.4 tp . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.392 -0.814 . . . . 0.0 109.79 177.93 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' A' ' 12' ' ' ARG . . . . . . . . 0 N--CA 1.481 1.652 0 N-CA-C 112.045 -0.422 . . . . 0.0 112.045 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.414 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 55.7 mtp180 70.87 147.47 0.12 Allowed Pre-proline 0 N--CA 1.464 0.274 0 C-N-CA 123.212 0.605 . . . . 0.0 111.751 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 12' ' ' ARG . 6.0 Cg_exo -80.0 52.49 4.33 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.805 2.337 . . . . 0.0 112.172 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -124.45 6.99 8.54 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.685 177.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.0 m -77.32 -32.87 19.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.987 0.423 . . . . 0.0 111.209 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -112.85 -64.48 1.3 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.711 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.408 ' O ' HD13 ' A' ' 46' ' ' LEU . 28.9 mmm180 68.54 93.74 0.08 Allowed 'General case' 0 CA--C 1.519 -0.221 0 O-C-N 123.749 0.655 . . . . 0.0 112.034 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.56 ' O ' HD11 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -76.96 -15.98 59.49 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.539 173.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 46' ' ' LEU . 36.0 ttm180 54.38 41.29 32.06 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 114.268 -1.333 . . . . 0.0 111.935 174.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.5 31.48 76.72 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.731 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.563 ' HG ' ' CB ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -65.4 121.34 14.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.678 0.275 . . . . 0.0 110.321 176.712 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.5 p -81.24 178.25 8.51 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.774 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -58.08 -39.41 78.48 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 121.233 -0.187 . . . . 0.0 111.179 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -69.21 -45.91 68.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.368 -178.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.563 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 5.6 mm-40 -61.47 -44.83 96.4 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.357 0.599 . . . . 0.0 109.619 176.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.555 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 59.4 t80 -66.97 -36.76 82.9 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.653 -178.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.475 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 33.5 t70 -64.66 -42.93 95.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.984 0.421 . . . . 0.0 110.254 177.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -61.79 -44.26 97.21 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.22 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -56.83 -44.77 82.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.89 174.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.555 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 56.1 mtmt -59.8 -51.02 71.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.622 0.248 . . . . 0.0 110.632 178.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -54.68 -46.79 74.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.456 0.646 . . . . 0.0 110.594 177.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -67.42 -37.46 83.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.366 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.571 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 17.9 ttt180 -70.24 -39.15 75.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.562 178.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.64 -41.31 94.64 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.5 t -59.89 -36.54 77.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.694 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.557 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 6.5 mpt_? -87.59 12.99 11.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.561 179.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.52 34.43 89.1 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.552 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.8 -19.66 19.52 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.23 -0.509 . . . . 0.0 112.21 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -83.73 57.05 3.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.321 0.582 . . . . 0.0 111.241 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.571 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 16.5 t80 -137.23 102.28 4.77 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.667 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.66 164.55 25.2 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.657 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.609 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -66.21 -31.68 54.71 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.166 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.741 178.08 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -67.45 -29.47 68.95 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.304 -176.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -67.66 -43.97 78.97 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 173.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.449 ' CE2' ' HD2' ' A' ' 49' ' ' ARG . 90.7 t80 -62.25 -48.89 77.95 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.326 175.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 86.6 mt -63.0 -34.8 78.33 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 123.624 0.769 . . . . 0.0 112.043 -174.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.43 -26.67 61.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.156 0.503 . . . . 0.0 111.125 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.601 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 15.2 t70 -91.1 -31.17 16.35 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 175.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.543 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 33.9 ttt180 -62.32 -36.73 83.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.903 174.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.453 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -58.19 -31.47 67.32 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 177.108 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.663 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 21.0 mtt180 -75.98 -40.03 54.66 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.032 175.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.601 ' HG3' ' O ' ' A' ' 48' ' ' ASP . 40.2 mt-10 -70.73 -20.05 62.68 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.979 -1.009 . . . . 0.0 111.746 -176.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.543 ' HG3' ' O ' ' A' ' 49' ' ' ARG . 44.8 mt-10 -65.6 -28.69 69.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.284 0.564 . . . . 0.0 109.683 172.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.439 ' HB3' ' O ' ' A' ' 51' ' ' ARG . 13.0 tp10 -79.93 -34.59 38.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.634 174.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 20.5 mt -83.03 -81.16 0.16 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.926 -1.033 . . . . 0.0 110.408 -173.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 92.9 mt 56.47 -85.45 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.347 0.659 . . . . 0.0 112.52 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -95.1 133.1 39.28 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.706 -174.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -83.8 -10.1 58.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.962 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.5 t70 55.22 -92.29 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.779 174.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -85.83 -10.35 55.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.6 -170.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -50.12 -35.9 27.57 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.389 0.431 . . . . 0.0 111.757 -177.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -152.12 -81.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 175.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -156.8 82.25 0.95 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.186 177.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 64' ' ' ILE . 4.7 mp -112.77 -32.92 2.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.43 0.633 . . . . 0.0 109.939 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -76.8 147.39 37.25 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.282 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.32 19.54 30.04 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.596 -0.811 . . . . 0.0 111.656 -178.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.4 t70 64.15 84.83 0.14 Allowed 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.095 0.558 . . . . 0.0 111.272 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.66 -158.94 20.34 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.762 -0.653 . . . . 0.0 112.092 178.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -123.7 46.2 2.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.324 0.583 . . . . 0.0 110.65 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.83 -20.21 79.71 Favored Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.316 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 92.0 mt -72.0 175.75 5.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.746 0.308 . . . . 0.0 110.9 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -74.02 154.01 39.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.087 0.47 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.64 88.06 2.76 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.31 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.7 m -76.95 131.31 38.45 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.699 -176.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 62.09 37.99 14.23 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.847 -178.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -72.03 -30.45 65.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.909 177.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.9 p -87.16 66.03 9.11 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.638 177.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.8 tpt180 -64.35 -34.32 77.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.281 -175.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -77.63 -14.45 59.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.549 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.95 51.79 2.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.163 0.506 . . . . 0.0 110.774 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -81.26 -5.57 57.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.722 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -90.1 140.95 29.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.791 177.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.31 29.75 1.61 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.11 0.481 . . . . 0.0 111.273 -177.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -119.59 22.86 11.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.55 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.9 mp . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.396 -0.811 . . . . 0.0 110.555 -178.826 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.708 0 N-CA-C 112.023 -0.431 . . . . 0.0 112.023 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -77.24 138.63 64.33 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.435 ' O ' ' HD3' ' A' ' 17' ' ' ARG . 55.3 Cg_endo -78.87 71.92 6.73 Favored 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 122.714 2.276 . . . . 0.0 112.097 -179.077 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.1 27.84 2.75 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.67 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.5 m -81.23 -20.08 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.829 0.347 . . . . 0.0 111.624 -175.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -133.03 -71.72 0.52 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.94 -177.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.435 ' HD3' ' O ' ' A' ' 13' ' ' PRO . 28.5 mmm180 50.96 59.13 4.84 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.593 176.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.99 -17.53 0.18 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.556 178.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 67.31 -69.81 0.13 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.481 0.713 . . . . 0.0 111.289 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -171.8 29.76 0.11 Allowed Glycine 0 CA--C 1.502 -0.77 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 176.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.616 ' HG ' ' CB ' ' A' ' 25' ' ' GLU . 1.4 mp -63.37 123.77 19.56 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 114.794 -0.703 . . . . 0.0 111.749 -174.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.5 p -83.45 176.1 9.32 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.946 173.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -57.88 -34.11 69.43 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.549 0.214 . . . . 0.0 111.197 -177.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 25' ' ' GLU . 9.5 pt-20 -70.81 -45.83 63.92 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.756 -0.202 . . . . 0.0 111.02 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.616 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 21.7 mt-10 -67.82 -41.12 83.55 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.546 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 73.5 t80 -66.85 -36.35 82.13 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.441 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -63.94 -46.11 86.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.213 0.53 . . . . 0.0 109.98 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -62.57 -37.8 87.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.734 177.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 45' ' ' TYR . 15.4 t80 -63.48 -43.07 98.34 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.726 174.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 50.2 mtmt -60.11 -42.26 94.35 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 177.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -62.69 -48.28 79.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.465 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -65.0 -33.46 76.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.975 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.617 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 50.0 ttt180 -74.47 -35.67 63.29 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.366 177.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -63.86 -35.51 80.89 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 173.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.0 t -63.33 -17.19 62.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.884 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.526 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 4.8 mpt_? -112.32 17.65 19.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 178.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.88 15.31 64.53 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.909 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.86 -16.22 54.67 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.05 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -88.8 62.94 6.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.607 0.717 . . . . 0.0 110.815 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.617 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 27.2 t80 -142.18 104.88 4.52 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.999 -1.0 . . . . 0.0 108.616 -177.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.06 166.36 19.82 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.751 -175.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.558 HD12 HD21 ' A' ' 21' ' ' LEU . 1.8 tp -61.74 -33.97 60.11 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.891 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.226 -178.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -63.78 -33.28 75.31 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.951 0.405 . . . . 0.0 110.686 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -70.65 -33.52 71.05 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.557 ' HA ' ' HH ' ' A' ' 40' ' ' TYR . 83.2 t80 -72.22 -47.55 49.58 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.97 172.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.564 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 91.4 mt -59.52 -33.72 71.71 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.762 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.46 -43.02 98.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 110.95 175.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.594 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 13.0 t70 -73.1 -35.45 66.61 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 176.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -62.09 -37.33 84.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.185 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 13.4 mm-40 -57.26 -37.12 71.86 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.203 173.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.581 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 40.4 mtt180 -72.66 -43.36 63.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.349 177.162 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.624 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 44.0 mt-10 -59.25 -25.26 63.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.053 -0.976 . . . . 0.0 112.56 -175.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -50.38 -45.53 55.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.842 0.353 . . . . 0.0 111.5 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -87.47 -21.64 25.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.045 0.45 . . . . 0.0 110.731 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 60.4 mt -79.25 -13.83 59.43 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.004 -174.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 91.3 mt -66.09 -35.82 81.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.043 0.449 . . . . 0.0 110.345 176.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -113.53 0.68 14.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.248 -175.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 73.2 mtt180 -141.44 -175.95 4.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.572 -175.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' A' ' 58' ' ' ARG . 32.2 t70 69.14 -81.61 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 O-C-N 123.748 0.655 . . . . 0.0 111.753 176.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -74.13 -10.81 59.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.916 0.389 . . . . 0.0 111.242 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -83.68 13.3 4.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.444 -175.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 72.54 116.82 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.261 -0.881 . . . . 0.0 113.219 172.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 68' ' ' GLY . . . 63.45 53.8 2.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.112 -0.949 . . . . 0.0 113.08 169.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.6 mp -121.21 -43.62 2.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.676 0.751 . . . . 0.0 109.169 172.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -73.55 153.83 40.09 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.033 176.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 54.24 -126.42 36.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.222 -0.513 . . . . 0.0 112.828 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -122.58 -12.74 8.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.824 0.345 . . . . 0.0 110.854 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' ' 63' ' ' ALA . . . -147.73 -147.71 4.6 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.968 -177.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.409 ' HB3' ' N ' ' A' ' 63' ' ' ALA . 53.4 p90 -141.14 175.13 9.88 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 -178.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.99 -37.67 2.15 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.87 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.0 tp -53.57 -51.76 61.93 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 122.928 0.491 . . . . 0.0 111.446 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -139.73 49.79 1.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -165.88 158.49 14.99 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.113 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.7 m 70.92 125.21 0.03 OUTLIER 'General case' 0 C--O 1.234 0.245 0 O-C-N 124.049 0.843 . . . . 0.0 112.061 175.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -77.44 49.75 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 110.244 177.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -100.39 -20.76 15.67 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.113 -0.948 . . . . 0.0 109.507 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.6 p -76.11 67.9 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.307 -174.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -112.4 -11.64 13.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.953 0.406 . . . . 0.0 110.379 173.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -138.93 31.45 2.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.238 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -93.51 152.53 19.0 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 -176.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -94.35 65.04 3.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.16 178.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -91.63 58.43 3.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.718 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.85 -50.39 7.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.79 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -91.72 94.27 9.29 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.951 0.405 . . . . 0.0 110.397 -177.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.54 -0.743 . . . . 0.0 110.205 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.644 0 N-CA-C 111.775 -0.53 . . . . 0.0 111.775 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -135.11 153.03 78.08 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -79.38 39.03 0.77 Allowed 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.683 2.255 . . . . 0.0 112.006 177.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -89.82 27.53 8.0 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 121.149 -0.548 . . . . 0.0 112.24 -175.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.5 m -83.37 -21.2 8.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.99 0.424 . . . . 0.0 110.568 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -169.38 82.49 0.13 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.713 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.444 ' O ' HD13 ' A' ' 46' ' ' LEU . 12.9 mmm180 -101.16 104.17 15.25 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.287 0.565 . . . . 0.0 111.303 178.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.4 p -78.22 107.54 10.89 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.398 175.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.46 ' HD3' HD21 ' A' ' 46' ' ' LEU . 81.1 mtp180 -75.26 57.03 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.373 175.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.56 37.17 94.29 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -174.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.577 ' HG ' ' CB ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -65.77 110.19 2.73 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 120.876 0.37 . . . . 0.0 110.524 -178.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.5 p -68.19 -179.15 1.19 Allowed 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.292 176.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -67.81 -15.8 63.8 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 120.79 0.329 . . . . 0.0 110.117 177.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -83.02 -55.92 4.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.355 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.577 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 7.6 mm-40 -57.15 -40.96 78.27 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 121.335 0.588 . . . . 0.0 109.933 178.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.515 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 59.0 t80 -69.81 -34.63 73.97 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.929 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.46 ' OD2' ' HE3' ' A' ' 31' ' ' LYS . 36.6 t70 -68.64 -41.61 79.17 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -58.9 -47.2 85.82 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.424 173.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -56.56 -41.83 77.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.999 176.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.515 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 41.7 mtmt -63.96 -46.96 82.31 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.311 -0.156 . . . . 0.0 110.844 178.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.46 ' HE3' ' OD2' ' A' ' 27' ' ' ASP . 94.8 mttt -58.35 -43.45 88.35 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.51 0.672 . . . . 0.0 110.049 178.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -65.03 -48.26 74.48 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.01 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.553 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 19.8 ttt180 -64.2 -32.99 74.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.96 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -63.7 -41.38 98.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.217 0.532 . . . . 0.0 109.84 175.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.5 t -63.55 -32.58 74.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.834 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.541 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 6.9 mpt_? -88.09 6.98 33.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.14 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.48 26.48 73.62 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.712 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.34 -17.77 58.67 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.853 -177.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -84.41 57.73 4.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.423 0.63 . . . . 0.0 110.741 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.554 ' HE1' ' OD2' ' A' ' 44' ' ' ASP . 20.8 t80 -141.66 104.8 4.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.345 -178.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.79 166.7 19.78 Favored 'General case' 0 C--N 1.312 -1.052 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.095 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.681 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 0.7 OUTLIER -66.1 -31.12 52.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.371 -179.634 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -65.77 -37.51 86.54 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.48 0.178 . . . . 0.0 111.48 -176.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.554 ' OD2' ' HE1' ' A' ' 40' ' ' TYR . 5.2 t70 -64.92 -32.48 74.21 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 175.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.468 ' CE2' ' HD2' ' A' ' 49' ' ' ARG . 94.0 t80 -73.28 -43.1 61.63 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.525 174.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 92.8 mt -69.49 -31.13 69.21 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 122.828 0.451 . . . . 0.0 111.734 -173.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' A' ' 50' ' ' GLU . . . -70.58 -40.26 73.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.168 0.509 . . . . 0.0 109.798 174.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -71.34 -28.99 64.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.337 175.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.468 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 25.9 ttt-85 -65.73 -33.73 76.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.065 176.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 47' ' ' ALA . 11.9 mm-40 -62.62 -30.51 71.41 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.055 173.284 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.671 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 26.3 mtt180 -79.78 -33.86 40.23 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.894 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.692 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 43.3 mt-10 -53.33 -39.12 63.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.902 -176.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -56.31 -48.93 75.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.651 0.262 . . . . 0.0 111.323 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.444 ' O ' HG12 ' A' ' 64' ' ' ILE . 12.0 pt-20 -74.32 -28.9 61.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 0.0 110.608 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 85.4 mt -73.86 -18.17 60.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.149 -177.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.692 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 93.0 mt -70.31 -78.13 0.08 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.717 178.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -165.8 46.67 0.08 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.873 0.368 . . . . 0.0 111.542 -176.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.533 ' HA ' ' HE ' ' A' ' 58' ' ' ARG . 1.3 mmp_? -105.02 95.81 6.1 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.574 -0.704 . . . . 0.0 111.245 -177.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -73.67 -12.66 60.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.363 -0.835 . . . . 0.0 108.782 174.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -65.1 -26.44 68.21 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.268 173.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -85.4 -71.77 0.51 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.928 -173.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' C ' HD11 ' A' ' 64' ' ' ILE . 8.0 tt0 -155.99 -154.24 0.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -176.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.01 54.97 1.07 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.119 0.485 . . . . 0.0 112.302 -174.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 54' ' ' GLU . 5.3 mp -89.41 -20.63 7.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.962 0.886 . . . . 0.0 108.99 175.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -87.25 3.14 47.83 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.543 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.75 -168.82 46.02 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.59 -176.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.8 t70 70.62 -56.59 0.61 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.634 0.774 . . . . 0.0 111.972 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 139.77 154.26 6.27 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -94.26 139.18 31.38 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 117.626 0.713 . . . . 0.0 110.715 -178.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 173.97 32.62 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 177.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.2 pp -171.0 156.07 4.72 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -174.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt 57.96 32.39 21.89 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 123.626 0.579 . . . . 0.0 111.701 177.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.43 -36.49 84.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.321 0.581 . . . . 0.0 109.792 177.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.6 m -84.37 105.52 15.26 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.984 174.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -72.57 98.48 2.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.132 0.491 . . . . 0.0 110.268 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.406 ' C ' ' H ' ' A' ' 78' ' ' ARG . 2.9 ptm180 -82.29 55.85 3.02 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.293 179.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.5 p -78.72 34.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.794 -176.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.406 ' H ' ' C ' ' A' ' 76' ' ' ARG . 28.5 mmt180 -80.76 -20.14 43.34 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 176.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.463 ' HZ2' ' HB3' ' A' ' 79' ' ' LYS . 7.0 mtpm? -115.34 46.53 1.45 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.689 -1.141 . . . . 0.0 109.215 177.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.35 57.36 3.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.239 -175.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -78.58 -33.92 47.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.931 177.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -98.38 75.49 2.24 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.512 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -132.06 -55.87 0.98 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.975 0.417 . . . . 0.0 110.259 175.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -110.29 87.03 2.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.365 177.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.542 -0.742 . . . . 0.0 109.787 -179.766 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.881 0 N-CA-C 112.207 -0.357 . . . . 0.0 112.207 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -102.27 158.95 30.77 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -76.48 82.9 2.15 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.747 2.298 . . . . 0.0 112.352 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -88.79 -40.05 6.4 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.328 175.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.5 p -82.48 124.47 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 175.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 58.32 93.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.44 0.638 . . . . 0.0 109.38 -172.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' A' ' 18' ' ' THR . 16.3 tpt180 -98.17 169.47 9.57 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.362 -174.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.461 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 2.8 p -56.66 115.41 2.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.726 177.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -53.13 -53.48 49.82 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.713 175.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -172.79 60.08 0.15 Allowed Glycine 0 CA--C 1.498 -0.989 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.562 HD21 ' HA ' ' A' ' 26' ' ' TYR . 5.5 mp -89.91 114.49 26.3 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.07 0.462 . . . . 0.0 110.476 -178.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.7 p -70.49 173.78 6.57 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 172.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -56.41 -33.04 65.42 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 118.201 0.455 . . . . 0.0 110.374 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -66.86 -54.94 17.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.435 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.525 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 4.1 mm-40 -63.92 -36.06 82.71 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.932 0.396 . . . . 0.0 110.217 -178.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.562 ' HA ' HD21 ' A' ' 21' ' ' LEU . 56.0 t80 -70.66 -33.94 71.49 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.291 178.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -65.66 -45.65 82.13 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 177.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -58.0 -42.87 86.11 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.529 173.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -58.92 -45.47 90.28 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.011 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 50.4 mtmt -60.68 -48.64 80.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.005 0.431 . . . . 0.0 109.962 176.177 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -56.07 -44.89 79.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.966 177.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -70.32 -38.78 74.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.132 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.54 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 27.7 ttt180 -69.09 -35.83 76.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.408 177.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.67 -40.04 90.63 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.078 175.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -60.98 -34.12 74.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.428 177.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.502 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 7.4 mpt_? -87.84 5.94 37.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.305 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.83 21.7 76.7 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.453 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.19 -19.58 50.89 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.085 -177.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -83.04 61.78 6.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.067 0.46 . . . . 0.0 110.767 -178.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.543 ' HH ' ' HA ' ' A' ' 45' ' ' TYR . 22.1 t80 -148.54 103.77 3.44 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.907 -177.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.34 167.79 19.1 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.588 0.709 . . . . 0.0 111.163 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.521 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 3.5 tp -67.16 -22.81 29.65 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.036 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.911 178.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -73.79 -33.07 64.06 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.17 -0.212 . . . . 0.0 110.751 -177.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -70.15 -37.49 75.25 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 175.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.543 ' HA ' ' HH ' ' A' ' 40' ' ' TYR . 59.7 t80 -68.51 -45.69 71.58 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.44 174.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.59 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 44.0 mt -65.35 -39.51 92.45 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.901 -176.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.77 -41.04 98.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.838 0.352 . . . . 0.0 110.663 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -73.37 -34.12 65.4 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.59 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 49.8 ttt85 -58.66 -47.03 85.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.801 176.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.59 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 76.0 mm-40 -51.29 -39.96 57.96 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.88 176.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.495 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 31.4 mtt180 -77.08 -47.55 20.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.88 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.647 ' O ' ' HB2' ' A' ' 56' ' ' LEU . 30.6 mm-40 -58.76 -30.12 67.29 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.469 -175.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' A' ' 49' ' ' ARG . 35.5 mt-10 -66.51 -43.92 83.93 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.122 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -77.3 -21.8 52.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.24 0.543 . . . . 0.0 110.309 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 75.5 mt -90.47 -15.3 31.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.213 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.647 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 10.9 tp -78.21 -43.14 29.27 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 176.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -93.31 -174.62 3.58 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.437 -1.256 . . . . 0.0 108.845 174.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.493 ' O ' HD13 ' A' ' 64' ' ' ILE . 59.1 ttt180 -133.61 101.92 5.3 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.967 0.413 . . . . 0.0 110.787 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.441 ' OD1' ' HB3' ' A' ' 65' ' ' PHE . 68.7 m-20 -58.73 -44.15 90.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.541 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -69.47 -10.32 57.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.656 -176.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -60.49 -56.5 20.59 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -177.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -166.54 -86.89 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.611 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -133.2 81.66 1.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.972 0.415 . . . . 0.0 110.332 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.493 HD13 ' O ' ' A' ' 58' ' ' ARG . 4.3 mp -121.37 -22.24 3.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.82 0.819 . . . . 0.0 109.876 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.441 ' HB3' ' OD1' ' A' ' 59' ' ' ASP . 30.8 p90 -97.17 24.14 6.68 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.562 -177.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.83 76.16 1.28 Allowed Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.712 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.419 ' CG ' ' H ' ' A' ' 68' ' ' GLY . 8.3 t70 59.09 -150.64 0.43 Allowed 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 -176.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.419 ' H ' ' CG ' ' A' ' 67' ' ' ASP . . . 83.24 17.96 65.72 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.806 176.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -78.4 167.89 20.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.976 0.417 . . . . 0.0 110.894 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 122.77 -96.73 0.56 Allowed Glycine 0 N--CA 1.443 -0.877 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -177.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 87.2 mt 55.39 -108.45 0.44 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.874 0.47 . . . . 0.0 111.854 176.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -72.31 -33.24 67.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.855 -177.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.7 -20.85 62.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.14 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.9 p -100.83 116.82 33.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.676 178.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.81 45.77 2.77 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.436 0.636 . . . . 0.0 110.105 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -91.32 89.45 7.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.29 -178.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.6 m -78.61 78.91 5.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.668 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -83.32 128.21 34.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.496 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm 54.25 36.63 25.56 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.247 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -114.53 79.91 1.33 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.399 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -65.28 123.2 18.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.337 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -144.66 85.26 1.76 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.977 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.77 -50.64 4.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.613 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -120.61 123.34 42.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.192 0.52 . . . . 0.0 111.143 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 77.0 mt . . . . . 0 C--O 1.245 0.834 0 CA-C-O 118.672 -0.68 . . . . 0.0 109.289 172.559 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.659 0 N-CA-C 111.847 -0.501 . . . . 0.0 111.847 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.519 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -131.05 160.64 65.96 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.357 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.519 ' HD2' ' HB2' ' A' ' 12' ' ' ARG . 73.3 Cg_endo -73.76 83.79 1.52 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.966 2.444 . . . . 0.0 112.94 -174.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -143.82 39.07 1.3 Allowed Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.534 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.83 133.41 27.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.632 0.253 . . . . 0.0 110.482 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.1 t80 61.53 45.69 8.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.598 0.713 . . . . 0.0 110.147 -178.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.49 ' O ' HD11 ' A' ' 46' ' ' LEU . 29.5 tpt180 -76.16 104.67 6.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.967 177.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.428 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -61.87 -28.83 69.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.676 -177.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 67.43 -71.09 0.11 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.238 0.615 . . . . 0.0 111.392 177.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -165.83 32.21 0.22 Allowed Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.593 ' HG ' ' CB ' ' A' ' 25' ' ' GLU . 3.9 mp -71.8 115.79 11.42 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.227 0.537 . . . . 0.0 111.293 -178.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.9 p -76.18 179.05 5.95 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.126 173.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -58.46 -34.8 71.27 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.307 178.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.77 -51.71 45.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.005 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.593 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 12.1 mm-40 -61.71 -42.54 99.08 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.24 0.543 . . . . 0.0 110.201 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.61 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 57.4 t80 -66.43 -36.55 83.07 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.324 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -64.26 -45.92 86.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.403 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -62.14 -38.51 89.23 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.431 176.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -61.46 -44.23 97.47 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.582 176.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.61 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 49.1 mtmt -63.5 -45.47 90.54 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.252 0.549 . . . . 0.0 109.775 176.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -54.78 -45.47 74.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.507 176.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -70.41 -43.08 70.74 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.742 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.541 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 40.8 ttt180 -66.39 -32.76 74.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.466 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -61.17 -40.75 95.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.544 174.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.7 t -63.61 -28.47 69.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.602 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.507 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 7.0 mpt_? -93.73 11.77 27.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.196 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.04 27.87 73.21 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.623 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.27 -14.69 63.97 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.139 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -90.86 72.1 6.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.241 0.543 . . . . 0.0 111.158 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.541 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 33.5 t80 -150.48 105.16 3.29 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.509 -177.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.36 163.24 27.66 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.366 0.603 . . . . 0.0 111.016 -178.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.549 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 0.7 OUTLIER -69.25 -31.23 48.96 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.976 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.627 178.539 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -70.22 -28.77 65.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 -177.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -63.69 -44.14 94.54 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 172.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.457 ' CE2' ' HD2' ' A' ' 49' ' ' ARG . 90.0 t80 -66.28 -50.84 62.32 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.983 176.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 94.2 mt -58.54 -37.29 75.36 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 123.651 0.781 . . . . 0.0 112.04 -175.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.04 -38.28 87.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.923 0.392 . . . . 0.0 110.758 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.449 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 29.0 t70 -78.13 -31.87 50.09 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 176.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.457 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 36.4 ttt180 -60.07 -35.7 75.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.841 175.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 14.2 mm-40 -64.08 -25.73 68.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.911 175.163 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.52 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 34.1 mtt180 -89.85 -27.38 19.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.427 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.621 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 39.5 mt-10 -58.7 -21.58 55.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.48 -174.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -58.37 -37.71 75.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.463 0.173 . . . . 0.0 111.189 177.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 11.0 pt-20 -87.53 -17.85 31.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.199 0.523 . . . . 0.0 110.381 177.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.442 ' HB2' ' HA ' ' A' ' 52' ' ' GLU . 87.8 mt -84.87 -16.65 40.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.222 -176.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 95.2 mt -69.58 -69.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.217 0.532 . . . . 0.0 109.732 175.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -143.38 144.23 31.97 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.958 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.483 ' O ' HD11 ' A' ' 64' ' ' ILE . 50.8 ttp180 -129.04 103.17 6.84 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.255 0.55 . . . . 0.0 110.276 179.619 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -68.69 -5.15 18.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.603 -176.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -90.74 -10.27 43.62 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.94 0.4 . . . . 0.0 110.779 176.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -70.54 -72.77 0.19 Allowed 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.537 -174.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 176.41 -42.23 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.178 0.513 . . . . 0.0 110.021 -177.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.436 ' C ' HD12 ' A' ' 64' ' ' ILE . . . -92.14 -160.5 0.74 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.387 174.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.483 HD11 ' O ' ' A' ' 58' ' ' ARG . 3.4 mp 78.78 -60.29 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 171.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -77.63 -39.28 45.76 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -172.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.56 -80.17 1.5 Allowed Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.281 -0.961 . . . . 0.0 112.197 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -146.5 -58.93 0.3 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.269 0.556 . . . . 0.0 109.812 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -155.0 -179.0 29.84 Favored Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -82.47 169.11 16.75 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.561 -0.456 . . . . 0.0 109.949 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.405 ' HA2' HG23 ' A' ' 74' ' ' THR . . . 140.53 40.92 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.498 -177.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.2 mt -126.21 -58.12 1.37 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -108.06 -24.64 11.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.391 174.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.54 38.13 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.239 0.543 . . . . 0.0 110.647 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.405 HG23 ' HA2' ' A' ' 70' ' ' GLY . 0.4 OUTLIER -132.44 -178.87 5.12 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.769 179.469 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 67.61 16.42 9.86 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.733 0.646 . . . . 0.0 111.351 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -113.04 135.92 53.26 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.6 m -79.39 62.77 3.82 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.127 0.489 . . . . 0.0 111.212 -175.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -73.34 -23.66 60.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.835 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -78.96 -2.54 40.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.079 0.466 . . . . 0.0 110.32 178.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -108.84 12.33 25.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.157 176.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -104.82 23.15 13.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.243 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -121.12 80.13 1.61 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.737 -177.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.95 61.86 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.215 0.531 . . . . 0.0 110.353 178.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -167.52 -48.42 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.471 -177.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.0 mp . . . . . 0 C--O 1.25 1.081 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.184 179.816 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.654 0 N-CA-C 112.366 -0.294 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -152.99 137.33 10.7 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -73.61 71.93 3.83 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.707 2.271 . . . . 0.0 111.979 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.63 -42.41 1.72 Allowed Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 175.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.5 p -55.27 -43.27 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.995 0.426 . . . . 0.0 110.733 175.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -128.85 99.07 5.17 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 174.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -81.91 -66.38 0.9 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.057 -175.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 p -142.21 164.91 28.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.085 0.469 . . . . 0.0 111.691 -177.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -113.14 65.71 0.65 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 173.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 55.27 48.05 71.28 Favored Glycine 0 CA--C 1.507 -0.414 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.844 -176.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.553 ' HG ' ' HB2' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -81.82 115.64 21.13 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 120.89 0.376 . . . . 0.0 110.51 -176.801 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.7 p -73.25 176.79 5.61 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.461 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -58.56 -38.25 77.43 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 120.512 0.196 . . . . 0.0 111.321 -176.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -69.7 -47.52 62.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.559 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.553 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 7.5 mm-40 -62.48 -40.94 98.29 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 121.23 0.538 . . . . 0.0 109.733 179.028 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.568 ' CE2' ' HD2' ' A' ' 30' ' ' LYS . 62.1 t80 -69.06 -39.92 78.84 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.713 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.498 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 25.5 t70 -58.93 -46.58 87.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.19 0.519 . . . . 0.0 109.933 176.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -60.47 -47.49 85.88 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.935 177.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.447 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 45.6 t80 -54.4 -43.82 71.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.1 176.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.568 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 21.7 mtpp -62.09 -51.35 68.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.872 178.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -58.01 -37.98 75.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.282 0.563 . . . . 0.0 110.528 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -68.87 -48.69 62.79 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.095 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.51 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 21.3 ttt180 -64.51 -35.83 82.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.636 -178.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.52 -40.0 93.07 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.104 175.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.8 t -66.59 -30.03 70.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.778 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.483 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 6.3 mpt_? -89.93 8.2 33.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.288 178.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.75 29.11 74.22 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.536 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.39 -23.3 34.33 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.492 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.0 mttt -83.25 63.52 7.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.431 0.634 . . . . 0.0 110.902 -178.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.549 ' HH ' ' HA ' ' A' ' 45' ' ' TYR . 26.5 t80 -146.48 96.75 2.82 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.208 -0.906 . . . . 0.0 108.967 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.31 167.26 21.99 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.25 -177.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.639 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 3.0 tp -62.76 -34.42 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.607 177.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -62.75 -40.41 97.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.196 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -59.39 -32.04 69.79 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.429 0.633 . . . . 0.0 109.613 176.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.549 ' HA ' ' HH ' ' A' ' 40' ' ' TYR . 86.2 t80 -82.98 -41.43 18.77 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.013 176.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 82.3 mt -66.63 -32.92 74.55 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -173.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.98 -36.61 75.33 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.146 0.498 . . . . 0.0 110.105 175.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -75.09 -29.05 60.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.25 175.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.419 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 31.2 ttt180 -68.2 -37.12 80.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.642 177.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.609 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 78.2 mm-40 -52.94 -39.66 63.06 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.436 172.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.42 ' O ' HD11 ' A' ' 55' ' ' LEU . 25.5 mtt180 -72.83 -46.48 52.79 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.963 178.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.716 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 62.5 mm-40 -57.0 -36.5 70.46 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.469 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 49' ' ' ARG . 46.9 mt-10 -59.81 -39.77 86.11 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.498 0.184 . . . . 0.0 111.498 178.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -87.03 -17.48 32.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.146 0.498 . . . . 0.0 110.769 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.42 HD11 ' O ' ' A' ' 51' ' ' ARG . 9.3 mp -86.28 -5.75 59.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.18 176.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 80.6 mt -81.22 -176.03 5.76 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.669 173.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 50.94 41.98 27.68 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 121.366 0.603 . . . . 0.0 109.836 -171.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -101.81 -57.73 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.352 -173.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -155.6 -66.2 0.12 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.494 -170.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -70.29 -14.52 62.63 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -174.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -74.9 -57.4 3.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.733 0.301 . . . . 0.0 111.541 -175.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -154.52 -163.32 1.57 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 -174.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.533 ' HB3' ' CD1' ' A' ' 69' ' ' PHE . . . -83.03 65.77 8.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.944 0.402 . . . . 0.0 111.618 -174.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.0 mp -95.63 -25.41 4.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.624 0.726 . . . . 0.0 109.513 176.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -97.09 19.57 12.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.056 -179.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.84 -175.5 21.56 Favored Glycine 0 N--CA 1.444 -0.808 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -173.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -75.82 156.99 33.93 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.975 0.388 . . . . 0.0 110.577 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.37 50.45 0.76 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.933 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.533 ' CD1' ' HB3' ' A' ' 63' ' ' ALA . 24.3 p90 -109.42 -176.51 3.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.83 0.348 . . . . 0.0 111.028 -175.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.22 30.89 44.3 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.067 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.8 mt -66.73 -58.41 5.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.667 0.27 . . . . 0.0 111.16 -177.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -117.24 -26.25 6.82 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.293 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.89 -71.58 0.43 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.891 0.377 . . . . 0.0 111.224 -177.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.5 m -81.56 76.52 8.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.959 0.409 . . . . 0.0 110.849 -178.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -76.45 86.95 3.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.087 0.47 . . . . 0.0 110.63 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -128.15 37.07 4.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.582 0.706 . . . . 0.0 109.74 177.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.3 p -93.5 -4.93 50.23 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.281 -175.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 72.37 -68.0 0.24 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.266 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -135.88 81.26 1.88 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.972 0.415 . . . . 0.0 110.425 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -127.5 65.66 1.33 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.246 0.546 . . . . 0.0 110.263 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -71.95 -32.94 67.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.214 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -88.7 22.92 2.45 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.936 -176.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.78 -2.43 56.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.152 0.501 . . . . 0.0 109.979 178.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.542 ' O ' ' HD3' ' A' ' 84' ' ' LYS . 11.1 tmtt? -60.41 -37.79 81.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.27 174.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.449 -179.668 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 112.106 -0.397 . . . . 0.0 112.106 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -88.74 150.62 46.27 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.43 ' O ' ' HD3' ' A' ' 17' ' ' ARG . 57.4 Cg_endo -78.54 87.1 1.58 Allowed 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.489 2.126 . . . . 0.0 111.448 177.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.82 4.73 53.35 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.36 -177.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 p -72.89 138.38 21.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 177.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.6 t80 68.28 -83.25 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.706 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.43 ' HD3' ' O ' ' A' ' 13' ' ' PRO . 45.4 mmm-85 39.82 65.53 0.71 Allowed 'General case' 0 N--CA 1.469 0.481 0 O-C-N 123.858 0.724 . . . . 0.0 111.919 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -153.36 171.03 19.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.926 -178.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -150.23 66.09 0.96 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 178.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.72 32.84 84.98 Favored Glycine 0 CA--C 1.503 -0.683 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.644 -176.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.595 ' HG ' ' HB2' ' A' ' 25' ' ' GLU . 0.9 OUTLIER -75.95 117.51 17.75 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-O 121.298 0.57 . . . . 0.0 110.567 -176.441 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.4 p -74.69 171.41 13.95 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.039 173.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -55.79 -39.61 71.54 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 120.559 0.218 . . . . 0.0 111.018 -178.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -69.27 -40.87 77.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.751 -177.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.595 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 29.7 mt-10 -66.46 -43.29 85.9 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 176.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.56 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 61.8 t80 -67.44 -37.85 83.62 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.666 -178.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -63.27 -45.89 89.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.015 0.436 . . . . 0.0 109.979 176.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.443 ' HA ' ' CE ' ' A' ' 31' ' ' LYS . 53.8 tt0 -58.17 -43.78 87.65 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.472 175.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -57.95 -46.49 85.01 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.216 176.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.56 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 47.8 mtmt -60.08 -49.11 78.94 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 120.555 0.217 . . . . 0.0 110.961 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.443 ' CE ' ' HA ' ' A' ' 28' ' ' GLU . 40.5 mtmt -60.12 -41.24 92.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.597 178.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -64.17 -45.07 90.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.903 176.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.537 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 54.7 ttt180 -64.58 -34.18 77.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.484 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -64.58 -39.78 94.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.3 175.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.9 m -64.46 -21.39 66.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.064 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.481 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 3.0 mpt_? -100.75 9.22 42.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.843 178.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.67 30.21 77.32 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.611 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.6 -21.63 40.01 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.163 -178.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -80.03 63.44 4.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.936 0.398 . . . . 0.0 110.757 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.537 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 23.6 t80 -149.98 101.52 3.03 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 -177.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.5 163.9 26.48 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.385 -177.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.682 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 2.5 tp -60.42 -35.5 63.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.872 176.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -62.98 -38.85 92.78 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 120.85 0.357 . . . . 0.0 111.083 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -60.03 -40.86 90.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.643 176.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.402 ' O ' ' N ' ' A' ' 49' ' ' ARG . 81.6 t80 -72.03 -43.99 64.1 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.713 175.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.702 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 72.8 mt -59.99 -37.48 79.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.644 -174.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.95 -47.55 79.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.047 0.451 . . . . 0.0 110.324 174.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.61 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -65.03 -31.2 72.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.326 175.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.533 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 75.7 ttt-85 -65.04 -44.79 87.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.921 177.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.702 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 67.8 mm-40 -60.11 -26.29 66.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.172 177.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.565 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 4.2 mtt180 -79.02 -51.13 10.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.004 174.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.704 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 29.7 mm-40 -50.45 -38.29 42.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.509 -179.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 49' ' ' ARG . 5.7 mm-40 -54.73 -49.24 71.27 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -177.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.07 -16.75 59.87 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.403 0.621 . . . . 0.0 110.713 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 48.0 mt -88.5 -18.55 27.94 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.177 -179.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.704 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 81.1 mt -83.21 -49.53 9.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.643 174.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.433 ' HB3' HG12 ' A' ' 64' ' ' ILE . 41.9 mt-10 -123.82 126.58 46.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.635 177.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.515 ' O ' HD11 ' A' ' 64' ' ' ILE . 76.3 mtm180 -63.99 120.21 11.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.711 -174.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -65.27 -21.13 66.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.259 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -84.24 -10.74 57.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.375 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -69.58 -68.39 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.382 -173.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 69' ' ' PHE . 35.8 tt0 -158.79 -92.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.476 -177.189 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -117.31 85.77 2.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.167 0.508 . . . . 0.0 111.017 -174.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.515 HD11 ' O ' ' A' ' 58' ' ' ARG . 4.9 mp -133.41 -50.12 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.89 0.852 . . . . 0.0 109.521 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.3 p90 -78.66 157.96 28.5 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.602 -178.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 54.6 -128.09 41.6 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-N 116.0 -0.545 . . . . 0.0 113.618 173.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -109.99 8.75 24.25 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -175.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 153.77 -151.74 23.44 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 119.968 -1.11 . . . . 0.0 112.989 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' A' ' 62' ' ' GLU . 9.4 p90 -91.72 64.85 4.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.455 0.645 . . . . 0.0 111.508 -175.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.92 46.11 3.43 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.19 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.2 mt -106.01 -155.76 0.55 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -71.95 -7.3 47.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.134 0.492 . . . . 0.0 110.633 178.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.85 -14.82 60.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.054 176.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -112.9 77.09 1.02 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.008 0.432 . . . . 0.0 111.555 178.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -77.0 -1.38 28.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.041 0.448 . . . . 0.0 110.691 177.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -64.69 -20.99 66.63 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.339 176.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.8 m -66.63 105.16 1.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.98 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.476 ' NE ' ' HA ' ' A' ' 78' ' ' ARG . 5.3 mmp_? -110.33 -25.48 10.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.684 177.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -133.14 27.58 4.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.788 -178.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.64 119.33 13.72 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.339 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 69.44 -67.87 0.21 Allowed 'General case' 0 N--CA 1.463 0.209 0 O-C-N 124.051 0.844 . . . . 0.0 110.404 -176.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 -80.26 93.82 5.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.003 0.43 . . . . 0.0 110.195 178.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.82 -27.66 5.38 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.467 0.651 . . . . 0.0 110.275 177.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 49.9 mmtm -105.04 129.75 53.4 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.431 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 34.1 tp . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.706 -0.664 . . . . 0.0 110.129 -179.466 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.731 0 N-CA-C 111.924 -0.47 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.525 ' HG3' ' O ' ' A' ' 19' ' ' ARG . 32.1 mmt180 -114.8 154.98 46.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 120.568 0.223 . . . . 0.0 111.048 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -75.87 125.92 9.07 Favored 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 122.448 2.099 . . . . 0.0 112.542 -178.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.64 -18.85 61.02 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.804 -176.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.5 p -57.05 -39.96 69.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.839 0.352 . . . . 0.0 111.107 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -110.34 -30.61 7.62 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.608 ' O ' HG21 ' A' ' 42' ' ' ILE . 27.6 tpt180 65.09 59.25 0.85 Allowed 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.047 -0.978 . . . . 0.0 111.037 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -29.19 70.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.749 178.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.525 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 34.5 ttt180 66.85 -65.2 0.22 Allowed 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.813 0.696 . . . . 0.0 111.002 -177.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.38 34.67 0.1 OUTLIER Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 177.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.595 ' HG ' ' CB ' ' A' ' 25' ' ' GLU . 4.1 mp -75.37 117.66 17.41 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.184 0.516 . . . . 0.0 111.314 -178.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.6 p -78.93 -179.08 6.4 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.607 172.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.05 -32.42 69.75 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.737 0.303 . . . . 0.0 110.997 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -79.67 -38.8 32.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.657 -176.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.595 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 34.2 mm-40 -67.62 -41.37 84.04 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 175.114 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.572 ' HA ' HD23 ' A' ' 21' ' ' LEU . 49.9 t80 -68.94 -31.07 69.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.563 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.46 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 24.1 t70 -69.01 -45.03 71.54 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 176.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -56.53 -46.0 80.84 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.355 173.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.418 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 62.9 t80 -57.95 -44.05 86.75 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.068 176.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.46 ' CE ' ' HA ' ' A' ' 27' ' ' ASP . 57.1 mtmt -62.66 -49.93 73.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.498 0.189 . . . . 0.0 111.075 178.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -59.02 -42.43 90.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.17 0.51 . . . . 0.0 110.351 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.5 ' O ' ' HD2' ' A' ' 36' ' ' ARG . 78.7 mtt180 -63.15 -51.36 66.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.991 175.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.517 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 41.0 ttt180 -62.64 -38.64 91.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.422 -176.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.32 -41.51 97.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.917 0.389 . . . . 0.0 110.066 176.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.9 t -63.05 -34.48 77.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.541 178.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.5 ' HD2' ' O ' ' A' ' 32' ' ' ARG . 1.1 mpt_? -85.65 12.74 8.18 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.484 179.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.58 28.39 73.56 Favored Glycine 0 CA--C 1.517 0.16 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.675 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.06 -18.24 46.02 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.251 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -83.5 57.8 4.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.365 0.602 . . . . 0.0 110.587 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.517 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 18.0 t80 -139.37 102.29 4.45 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.359 -178.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.15 165.63 20.36 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.077 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.608 HG21 ' O ' ' A' ' 17' ' ' ARG . 0.5 OUTLIER -66.67 -34.1 67.81 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.096 -176.577 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -63.09 -36.06 82.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.592 0.234 . . . . 0.0 110.736 -176.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.425 ' OD1' ' HE1' ' A' ' 40' ' ' TYR . 4.0 t70 -64.84 -34.87 79.39 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.885 -0.784 . . . . 0.0 108.885 176.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.483 ' CE2' ' HD2' ' A' ' 49' ' ' ARG . 87.3 t80 -72.28 -48.65 40.86 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.482 174.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.603 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 90.7 mt -60.18 -36.35 77.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.805 -174.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 50' ' ' GLU . . . -64.27 -43.92 93.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.008 0.432 . . . . 0.0 110.818 177.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.537 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 20.6 t70 -70.86 -36.29 72.77 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 175.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.483 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 30.4 ttt180 -59.17 -33.99 71.58 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.301 175.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.603 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 5.5 mm-40 -63.63 -40.33 96.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.342 175.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.633 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 19.5 mtt180 -68.33 -33.76 74.89 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.614 179.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.728 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 45.2 mt-10 -58.86 -32.84 69.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.275 -175.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -57.16 -44.33 83.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.593 0.235 . . . . 0.0 111.457 -176.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -80.97 -16.0 54.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.955 0.407 . . . . 0.0 110.845 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 54.9 mt -83.26 -31.85 26.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.028 178.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.728 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 84.4 mt -71.79 -56.25 6.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.72 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -95.91 172.19 8.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.598 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -162.52 -169.76 2.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.014 0.435 . . . . 0.0 111.538 -175.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.5 t70 70.02 -93.1 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 114.943 -1.026 . . . . 0.0 112.518 167.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -90.12 -9.7 47.36 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.66 0.244 . . . . 0.0 111.66 -172.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -56.87 -71.47 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -176.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.582 ' H ' ' CD1' ' A' ' 64' ' ' ILE . 41.5 tt0 -174.51 95.45 0.09 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.633 0.254 . . . . 0.0 111.315 -178.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 57.57 54.73 6.17 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 171.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.582 ' CD1' ' H ' ' A' ' 62' ' ' GLU . 5.1 mp -107.82 -33.14 2.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.506 0.67 . . . . 0.0 109.795 176.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -81.0 -16.25 53.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.302 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -159.21 -157.02 8.31 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -178.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -89.54 -18.1 27.3 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.94 0.4 . . . . 0.0 110.617 -178.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -132.17 -173.45 13.33 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.185 -178.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -138.59 178.56 7.06 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 100.03 -20.92 46.98 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.833 -178.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -66.68 -31.14 71.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.391 0.615 . . . . 0.0 109.687 176.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -138.29 110.31 7.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.853 174.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -161.45 -48.17 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.388 178.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.4 m -86.51 -23.05 26.06 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.071 0.462 . . . . 0.0 110.58 178.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 65.14 9.85 5.89 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.705 178.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.578 ' NE ' ' HA ' ' A' ' 76' ' ' ARG . 7.7 mmp_? 56.83 43.55 24.79 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.466 -175.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.2 p -67.3 86.27 0.17 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.054 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -107.85 122.9 47.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.016 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp 60.54 36.95 19.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.303 0.573 . . . . 0.0 109.677 -175.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -135.03 74.9 1.54 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.896 -175.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -81.45 66.71 7.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.116 0.484 . . . . 0.0 110.983 -178.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -133.18 124.03 26.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.424 178.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.36 -19.03 16.48 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.18 0.514 . . . . 0.0 110.378 178.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -79.64 -38.49 33.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.431 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.457 ' OXT' ' HG ' ' A' ' 85' ' ' LEU . 1.6 pt? . . . . . 0 C--O 1.249 1.04 0 CA-C-O 117.871 -1.062 . . . . 0.0 110.387 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -91.38 148.14 36.95 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.704 0.252 . . . . 0.0 110.784 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -57.91 -66.21 0.08 OUTLIER 'Trans proline' 0 C--O 1.237 0.439 0 C-N-CA 122.521 2.147 . . . . 0.0 111.308 174.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.33 110.25 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.896 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.354 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.0 m -85.52 170.98 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 172.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.5 t80 56.63 51.01 11.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.767 0.794 . . . . 0.0 109.768 -178.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -68.47 -29.59 68.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.449 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 p -142.98 150.73 40.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.845 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -98.73 53.46 1.01 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.668 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.68 44.85 96.55 Favored Glycine 0 CA--C 1.505 -0.584 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 -174.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.603 ' HG ' ' HB2' ' A' ' 25' ' ' GLU . 0.9 OUTLIER -77.51 120.26 22.24 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.403 -0.398 . . . . 0.0 110.472 -175.727 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.8 p -76.08 174.91 9.44 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.475 177.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -58.37 -37.65 75.65 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 121.094 -0.242 . . . . 0.0 111.583 -176.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -65.59 -52.72 50.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.712 0.292 . . . . 0.0 110.987 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.603 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 23.2 mt-10 -59.8 -46.67 88.49 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.247 0.546 . . . . 0.0 110.027 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.489 ' HA ' HD21 ' A' ' 21' ' ' LEU . 51.6 t80 -65.2 -28.56 69.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.867 -178.054 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.42 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 27.8 t70 -73.68 -41.0 63.25 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -64.04 -37.3 86.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.551 0.691 . . . . 0.0 109.237 173.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -64.05 -46.99 81.91 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.836 -1.074 . . . . 0.0 110.833 175.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 57.3 mtmt -59.51 -46.72 88.0 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 121.1 0.476 . . . . 0.0 109.784 175.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -53.09 -54.38 36.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.653 176.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.408 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 91.4 mtt180 -63.33 -37.67 88.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.503 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.586 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 19.9 ttt180 -72.67 -31.38 65.03 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.418 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -64.34 -41.09 96.96 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 174.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.1 m -60.82 -18.45 55.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.582 177.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.486 ' HD3' ' CD1' ' A' ' 40' ' ' TYR . 7.0 mpt_? -108.91 9.2 26.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.309 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.21 32.45 80.68 Favored Glycine 0 C--N 1.329 0.165 0 C-N-CA 121.1 -0.571 . . . . 0.0 112.483 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.19 -19.75 52.64 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.254 -178.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -79.67 55.97 2.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.314 0.578 . . . . 0.0 111.028 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.586 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 18.9 t80 -147.46 102.05 3.42 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -178.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.48 172.45 10.99 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.211 -178.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.639 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 3.5 tp -60.89 -33.5 55.77 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.156 -178.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.75 -39.92 94.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.658 0.266 . . . . 0.0 111.111 -178.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.43 -38.31 83.67 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.45 0.643 . . . . 0.0 109.316 175.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.566 ' HA ' ' HH ' ' A' ' 40' ' ' TYR . 93.0 t80 -70.61 -47.51 59.79 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.453 176.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 88.3 mt -59.8 -33.05 71.22 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 123.543 0.527 . . . . 0.0 110.76 -177.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.3 93.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.025 174.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.435 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 3.4 t70 -77.3 -32.39 55.38 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 177.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 77.2 ttt-85 -64.25 -38.47 91.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.318 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -58.25 -29.49 65.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.42 173.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.505 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 6.8 mtt180 -86.35 -27.21 24.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.704 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.614 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 41.1 mt-10 -60.02 -17.68 40.61 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -174.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -57.16 -41.83 79.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.767 0.318 . . . . 0.0 110.721 177.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 12.3 pt-20 -88.2 -18.12 29.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.166 0.508 . . . . 0.0 110.71 177.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 48.7 mt -82.44 -6.43 59.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.591 -176.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 98.0 mt -71.13 -18.89 62.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.264 0.554 . . . . 0.0 109.749 173.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -117.24 81.63 1.68 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.371 177.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 4.3 mmp_? -110.19 128.79 55.68 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.104 178.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -69.4 -13.54 62.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.073 -178.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -85.04 -12.91 52.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.113 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -94.22 -71.76 0.65 Allowed 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.606 -176.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.45 ' C ' HD11 ' A' ' 64' ' ' ILE . 4.9 tt0 -134.72 -161.75 1.18 Allowed 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.072 -173.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.88 60.85 2.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.929 0.395 . . . . 0.0 111.809 -174.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.45 HD11 ' C ' ' A' ' 62' ' ' GLU . 5.3 mp -98.12 -25.4 4.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.334 0.588 . . . . 0.0 110.27 178.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -87.24 38.97 0.84 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.668 -175.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.95 -98.43 1.48 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.426 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -82.29 -164.49 0.83 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.565 0.222 . . . . 0.0 111.098 -177.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.25 173.88 8.05 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.952 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -110.81 115.59 29.8 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.24 0.543 . . . . 0.0 111.412 -175.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.86 22.24 41.24 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.635 -0.793 . . . . 0.0 111.576 175.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.7 mt -105.01 -67.53 0.91 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.494 0.188 . . . . 0.0 110.965 -177.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -65.97 -27.98 68.55 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.219 0.533 . . . . 0.0 109.901 177.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.86 76.56 3.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.8 175.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 29.3 p -65.46 -33.77 76.73 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.95 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 51.32 63.65 2.16 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.192 0.52 . . . . 0.0 110.355 -178.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -78.12 -174.39 3.62 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.843 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.4 m -66.14 89.04 0.12 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.143 0.497 . . . . 0.0 110.694 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -77.1 -30.34 55.29 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.34 -177.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -100.97 46.53 0.94 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.584 179.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.8 -65.52 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.798 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -130.49 -62.6 0.92 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.625 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 51.97 59.42 4.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.682 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.76 -27.71 60.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.442 0.639 . . . . 0.0 109.319 174.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -106.97 -171.66 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.321 174.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.8 mp . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.542 -178.189 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 111.937 -0.465 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.406 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 24.2 mtm180 -74.26 146.38 84.26 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 120.489 0.185 . . . . 0.0 111.064 -178.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.44 ' C ' ' H ' ' A' ' 15' ' ' VAL . 11.6 Cg_exo -71.11 -177.15 2.15 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 123.088 2.525 . . . . 0.0 111.873 177.275 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.11 26.48 1.2 Allowed Glycine 0 CA--C 1.519 0.286 0 CA-C-N 115.994 -0.548 . . . . 0.0 113.318 -177.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.44 ' H ' ' C ' ' A' ' 13' ' ' PRO . 27.5 m -93.27 -19.5 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.373 0.606 . . . . 0.0 109.952 175.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -168.02 81.76 0.18 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.858 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -99.22 104.47 16.42 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.134 176.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.437 ' O ' ' HB3' ' A' ' 19' ' ' ARG . 1.0 OUTLIER -65.66 -29.89 70.52 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -176.534 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.437 ' HB3' ' O ' ' A' ' 18' ' ' THR . 58.1 ttt180 69.3 -62.49 0.41 Allowed 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.702 0.627 . . . . 0.0 110.512 -175.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -179.61 38.19 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.796 0 N-CA-C 110.304 -1.118 . . . . 0.0 110.304 177.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.608 ' HG ' ' CB ' ' A' ' 25' ' ' GLU . 1.5 mp -74.12 114.09 12.07 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.061 0.457 . . . . 0.0 111.186 -176.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.5 p -75.65 175.21 8.82 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.426 173.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -56.89 -39.2 73.95 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.513 0.197 . . . . 0.0 111.19 -177.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -68.09 -40.9 82.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.653 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.608 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 38.8 mm-40 -64.25 -47.86 78.02 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.333 0.587 . . . . 0.0 109.764 176.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.582 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 70.0 t80 -64.33 -37.92 89.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.866 -177.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.469 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 36.2 t70 -62.97 -43.93 97.44 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.21 178.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -62.05 -44.63 96.27 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.552 0.691 . . . . 0.0 109.709 176.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -57.31 -42.08 81.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.165 176.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.582 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 50.3 mtmt -61.76 -50.59 71.78 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 120.857 0.361 . . . . 0.0 110.238 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -55.25 -45.75 76.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.516 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.547 ' O ' ' HD2' ' A' ' 36' ' ' ARG . 98.7 mtt180 -64.29 -44.96 90.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.113 178.032 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.565 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 13.4 ttt180 -63.9 -41.79 97.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -62.91 -39.41 94.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.917 0.389 . . . . 0.0 110.276 175.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.0 t -61.84 -28.28 69.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.578 177.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.605 ' HD3' ' CD1' ' A' ' 40' ' ' TYR . 2.1 mpt_? -94.81 16.55 15.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 177.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.29 25.79 71.35 Favored Glycine 0 C--N 1.333 0.397 0 C-N-CA 121.376 -0.44 . . . . 0.0 112.874 177.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.96 -15.28 62.21 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.07 -178.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -86.93 69.68 10.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.101 0.476 . . . . 0.0 110.378 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.605 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 13.9 t80 -152.87 107.04 3.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.824 -177.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.89 165.92 21.37 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.489 -0.485 . . . . 0.0 110.657 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.526 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -64.58 -33.41 62.93 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.004 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.937 176.634 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.79 -37.42 86.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.978 0.418 . . . . 0.0 110.311 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -65.14 -33.89 77.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.708 175.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.568 ' HA ' ' HH ' ' A' ' 40' ' ' TYR . 84.9 t80 -73.8 -43.02 60.11 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.284 174.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.643 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 92.5 mt -65.99 -31.67 72.72 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.792 -175.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.421 ' O ' ' HB2' ' A' ' 50' ' ' GLU . . . -72.3 -39.16 68.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.844 0.354 . . . . 0.0 110.787 176.48 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.607 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 13.6 t70 -72.43 -33.13 66.87 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 174.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.446 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 57.0 ttt-85 -62.4 -36.99 84.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.268 176.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.643 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 9.3 mm-40 -54.04 -33.61 57.8 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.163 173.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.53 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 30.3 mtt180 -85.54 -39.99 16.8 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.844 178.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.63 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 45.1 mt-10 -54.34 -43.14 70.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.128 -176.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -60.5 -32.83 71.81 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -175.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 12.0 pt-20 -87.85 -17.11 32.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.203 0.525 . . . . 0.0 110.658 176.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 96.3 mt -91.14 -12.4 35.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.462 -178.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 95.4 mt -61.81 -52.93 62.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.357 . . . . 0.0 110.668 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -111.99 136.35 51.45 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.011 175.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.535 ' O ' HD12 ' A' ' 64' ' ' ILE . 4.8 ptm180 -157.46 123.91 4.91 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.474 0.654 . . . . 0.0 110.629 -178.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.482 ' OD1' ' HB3' ' A' ' 65' ' ' PHE . 22.4 m-20 -56.27 -24.88 45.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.92 -178.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -63.65 -38.0 89.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.886 -176.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -76.87 -15.94 59.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.972 -174.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.554 ' OE2' ' HG ' ' A' ' 71' ' ' LEU . 32.5 tt0 69.33 150.33 0.08 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.531 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 78.83 16.37 1.05 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.694 0.798 . . . . 0.0 111.867 178.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.535 HD12 ' O ' ' A' ' 58' ' ' ARG . 4.6 mp -109.65 -54.65 5.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 172.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.482 ' HB3' ' OD1' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -65.53 158.49 26.86 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.464 -1.243 . . . . 0.0 110.511 174.387 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.77 -0.5 83.73 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.17 -0.538 . . . . 0.0 113.871 -170.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -141.14 125.68 17.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.963 0.381 . . . . 0.0 110.864 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.79 38.67 3.58 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.989 175.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -126.76 131.03 51.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 117.268 0.534 . . . . 0.0 111.148 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -121.57 -10.3 6.6 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.889 176.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.554 ' HG ' ' OE2' ' A' ' 62' ' ' GLU . 90.3 mt -63.05 -52.93 60.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.818 0.342 . . . . 0.0 110.908 177.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -106.42 59.53 0.64 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.048 178.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.47 66.77 5.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.306 0.574 . . . . 0.0 111.06 -177.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 54.9 m -75.14 113.09 12.09 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.181 177.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -70.75 98.73 1.59 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.912 0.387 . . . . 0.0 110.631 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -90.28 29.3 1.27 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.18 0.514 . . . . 0.0 109.858 176.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.4 p -67.75 -52.19 40.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.619 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 59.6 -90.17 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.317 177.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -83.76 -16.43 44.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.174 0.512 . . . . 0.0 110.0 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.48 51.87 2.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.817 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -102.9 9.07 39.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.448 178.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -75.65 -47.76 25.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.366 -178.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 69.63 -63.81 0.37 Allowed 'General case' 0 N--CA 1.465 0.297 0 O-C-N 124.274 0.984 . . . . 0.0 111.282 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -161.8 120.54 2.36 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.479 -0.772 . . . . 0.0 109.342 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.814 0 N-CA-C 111.859 -0.496 . . . . 0.0 111.859 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 12' ' ' ARG . 1.7 ptt180 -153.45 168.08 12.29 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -69.61 -72.91 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.052 1.835 . . . . 0.0 111.38 171.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 59.62 42.06 97.64 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.105 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.5 m -64.33 -27.78 43.42 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 CA-C-O 121.462 0.648 . . . . 0.0 109.905 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -137.79 127.75 25.68 Favored 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 172.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -80.31 69.73 6.81 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.535 0.683 . . . . 0.0 110.656 -178.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.696 ' O ' HD12 ' A' ' 21' ' ' LEU . 2.3 p -139.63 -50.78 0.5 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.783 177.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 46' ' ' LEU . 38.9 ttm180 68.72 49.94 0.68 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.442 0.639 . . . . 0.0 109.723 -175.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.58 47.18 91.45 Favored Glycine 0 C--N 1.331 0.252 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.947 177.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.696 HD12 ' O ' ' A' ' 18' ' ' THR . 0.9 OUTLIER -79.58 125.83 30.11 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.876 0.369 . . . . 0.0 110.062 178.199 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.4 p -82.63 175.57 10.06 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.922 176.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -56.87 -38.72 73.12 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.619 0.247 . . . . 0.0 111.017 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -69.26 -46.56 66.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 -178.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.622 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 40.3 mm-40 -59.75 -48.5 81.42 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.431 0.634 . . . . 0.0 109.971 176.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.588 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 60.3 t80 -63.71 -33.34 75.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.708 -177.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.447 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 33.4 t70 -69.82 -42.73 73.25 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.332 178.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -60.92 -40.76 94.41 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 174.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -60.72 -47.47 86.14 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.867 175.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.588 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 58.4 mtmt -59.93 -48.01 83.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.207 0.527 . . . . 0.0 109.776 176.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -52.31 -48.03 65.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.764 176.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -69.52 -39.92 77.25 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.644 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.595 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 14.8 ttt180 -67.89 -40.33 83.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.08 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -62.24 -37.2 84.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.948 0.404 . . . . 0.0 109.997 175.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.0 t -66.13 -22.29 66.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.728 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.564 ' HD3' ' CD1' ' A' ' 40' ' ' TYR . 5.7 mpt_? -99.19 12.2 36.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.846 0.355 . . . . 0.0 110.721 176.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.61 26.0 73.81 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 121.132 -0.556 . . . . 0.0 112.842 178.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.97 -9.6 76.25 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.43 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.0 68.96 4.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.477 0.656 . . . . 0.0 109.992 178.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.595 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 20.1 t80 -152.48 101.44 2.66 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.025 -177.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.59 168.45 19.76 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.191 -177.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.547 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -63.33 -32.55 56.9 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.897 0 C-N-CA 120.306 -0.558 . . . . 0.0 109.882 177.718 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.34 -35.91 82.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.65 0.262 . . . . 0.0 110.953 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -63.31 -32.77 74.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.396 0.617 . . . . 0.0 109.444 174.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.548 ' HA ' ' HH ' ' A' ' 40' ' ' TYR . 90.3 t80 -76.56 -46.66 25.42 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.543 175.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 86.6 mt -64.59 -36.71 85.12 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 123.282 0.633 . . . . 0.0 111.791 -175.038 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.91 -38.61 89.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.931 0.396 . . . . 0.0 110.465 176.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.518 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 26.9 t70 -74.56 -35.0 63.07 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 176.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.497 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 29.9 ttt180 -61.22 -35.02 76.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.104 177.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 41.0 mm-40 -62.1 -29.67 70.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.773 174.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.542 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 40.2 mtt180 -86.59 -24.05 25.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.577 178.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.726 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 34.6 mt-10 -67.13 -17.81 65.02 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.147 -176.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.62 -42.68 93.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.963 0.411 . . . . 0.0 110.548 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -86.49 -16.34 37.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.418 176.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 76.0 mt -85.46 -20.89 29.08 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.727 0.298 . . . . 0.0 111.137 179.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.726 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 56.7 mt -68.16 -32.14 72.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.156 0.503 . . . . 0.0 109.892 175.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.537 ' HA ' HG12 ' A' ' 64' ' ' ILE . 6.0 pt-20 -94.95 55.45 1.84 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.326 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -95.97 -74.98 0.54 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.251 177.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.406 ' HA ' ' HB ' ' A' ' 64' ' ' ILE . 0.7 OUTLIER -162.51 -83.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -175.456 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -67.34 -22.09 65.61 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 123.154 0.581 . . . . 0.0 111.207 -178.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -50.46 -66.21 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.229 -173.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -160.9 79.38 0.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.08 0.467 . . . . 0.0 111.356 -177.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.568 ' HA ' ' O ' ' A' ' 68' ' ' GLY . . . 55.89 71.23 0.57 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.419 -0.81 . . . . 0.0 113.037 172.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.537 HG12 ' HA ' ' A' ' 57' ' ' GLU . 5.1 mp -117.95 -37.56 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.456 0.646 . . . . 0.0 110.506 175.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 71' ' ' LEU . 32.6 p90 -77.36 6.73 6.32 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.595 -178.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 161.55 -178.08 37.59 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 110.421 -1.071 . . . . 0.0 110.421 -178.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -83.13 64.6 7.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.671 0.748 . . . . 0.0 109.991 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.568 ' O ' ' HA ' ' A' ' 63' ' ' ALA . . . 164.77 170.65 30.01 Favored Glycine 0 N--CA 1.442 -0.913 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.116 -179.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -120.09 32.5 6.01 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.358 0.599 . . . . 0.0 110.345 -177.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.3 63.6 4.3 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.366 -179.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 26.5 tp -131.88 51.19 2.17 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt 64.1 28.75 14.22 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.685 -178.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.19 -28.01 24.18 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.654 -178.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.0 p -84.68 122.96 29.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.821 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -95.16 -3.13 48.41 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.399 0.619 . . . . 0.0 109.92 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -115.51 -65.53 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.514 178.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.5 p -85.83 64.94 8.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.029 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -106.21 121.16 43.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.805 177.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.8 mttm 54.61 40.77 32.08 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.523 0.677 . . . . 0.0 110.597 -176.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -143.16 106.5 4.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.346 -178.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -92.66 -22.46 19.43 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -76.81 125.6 29.55 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -93.52 -11.95 30.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.846 0.355 . . . . 0.0 111.27 -176.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -86.88 38.61 0.81 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.033 0.444 . . . . 0.0 110.908 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.3 mt . . . . . 0 C--O 1.243 0.739 0 CA-C-O 118.689 -0.672 . . . . 0.0 110.023 179.474 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.798 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.457 ' HG2' ' OD2' ' A' ' 43' ' ' ASP . 17.8 mmt180 -86.47 146.31 41.63 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 121.319 0.581 . . . . 0.0 111.376 -176.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -79.36 52.29 4.22 Favored 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 123.648 2.899 . . . . 0.0 113.334 -176.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.99 -19.53 6.41 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 121.096 -0.573 . . . . 0.0 113.591 175.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.1 m -67.72 -39.66 82.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -175.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.425 ' HB3' ' HG3' ' A' ' 12' ' ' ARG . 30.7 t80 -109.24 -66.59 1.05 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.706 0.289 . . . . 0.0 110.33 -177.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.469 ' O ' HG23 ' A' ' 42' ' ' ILE . 34.6 mmt180 64.93 -90.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.1 -178.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 p -121.74 132.89 54.87 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.291 0.567 . . . . 0.0 111.934 -175.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -88.01 53.28 2.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.773 174.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.49 56.34 10.16 Favored Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.952 -175.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.577 ' HG ' ' CB ' ' A' ' 25' ' ' GLU . 0.9 OUTLIER -82.74 113.27 20.28 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.789 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.4 p -67.52 171.27 6.36 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.584 178.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -58.24 -36.76 73.68 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.205 -176.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.5 -43.7 72.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.755 -0.202 . . . . 0.0 111.265 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.577 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 55.0 mm-40 -63.19 -45.34 92.2 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.106 0.479 . . . . 0.0 109.828 177.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.499 ' CE2' ' HD2' ' A' ' 30' ' ' LYS . 62.6 t80 -67.39 -40.55 85.68 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.522 -178.246 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.472 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 24.3 t70 -61.43 -45.73 93.06 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -59.75 -49.47 77.61 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.886 176.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.412 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 11.9 t80 -49.69 -46.74 50.32 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.191 174.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.499 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 21.6 mtpp -61.43 -46.46 90.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.288 178.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -63.62 -40.13 96.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.415 0.626 . . . . 0.0 110.394 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -67.77 -39.5 84.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.635 177.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.561 ' HA ' ' HB3' ' A' ' 40' ' ' TYR . 30.5 ttt180 -67.38 -35.57 79.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.387 176.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -61.06 -40.04 92.15 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.078 176.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.9 m -66.8 -18.09 65.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.401 179.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.543 ' HD3' ' CD1' ' A' ' 40' ' ' TYR . 4.8 mpt_? -102.79 11.67 37.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.636 177.039 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.32 30.91 77.49 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.405 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.34 -21.62 39.51 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.425 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -79.53 61.93 3.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.201 0.524 . . . . 0.0 111.403 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.561 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . 25.1 t80 -154.59 94.92 1.73 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.523 -0.762 . . . . 0.0 108.967 -175.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.4 p -76.8 174.31 10.65 Favored 'General case' 0 CA--C 1.492 -1.275 0 C-N-CA 119.3 -0.96 . . . . 0.0 111.093 -176.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.699 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 5.1 tp -59.43 -35.47 58.84 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.784 0 CA-C-N 114.563 -1.199 . . . . 0.0 109.571 177.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.457 ' OD2' ' HG2' ' A' ' 12' ' ' ARG . 10.3 m-20 -66.33 -39.56 89.34 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.271 -178.17 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -60.78 -33.38 72.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.402 0.62 . . . . 0.0 109.434 177.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.563 ' CE2' ' HD2' ' A' ' 49' ' ' ARG . 89.6 t80 -78.43 -46.57 19.49 Favored 'General case' 0 C--O 1.214 -0.782 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.243 175.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.699 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 83.6 mt -61.28 -44.84 96.58 Favored 'General case' 0 C--O 1.219 -0.531 0 C-N-CA 123.002 0.521 . . . . 0.0 112.042 -175.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.52 -36.56 82.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.92 0.39 . . . . 0.0 111.07 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.593 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 27.9 t70 -79.83 -35.95 37.55 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.563 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 63.5 ttt-85 -58.1 -41.54 83.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.013 175.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 6.3 mm-40 -51.91 -43.72 63.51 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.078 173.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.594 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 22.4 mtt180 -66.8 -45.88 76.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.416 175.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.593 ' HG3' ' O ' ' A' ' 48' ' ' ASP . 34.9 mt-10 -56.65 -40.05 74.79 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.928 -175.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -64.72 -31.99 73.47 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -177.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 13.3 pt-20 -86.87 -17.84 32.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.309 0.576 . . . . 0.0 109.978 177.345 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 89.8 mt -90.44 -4.31 57.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.649 179.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 82.8 mt -67.65 -60.32 2.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.23 0.538 . . . . 0.0 110.412 177.303 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.422 ' HB2' HG21 ' A' ' 64' ' ' ILE . 4.3 pt-20 -71.88 88.0 1.02 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.138 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.5 mtm180 -101.58 44.65 1.0 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.602 -178.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.1 t70 62.15 -83.16 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 O-C-N 123.628 0.58 . . . . 0.0 112.225 171.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -74.07 -9.26 58.45 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -174.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -44.36 -47.55 9.67 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.13 0.491 . . . . 0.0 111.029 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -149.1 -80.08 0.13 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.401 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.83 41.19 0.58 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.726 0.298 . . . . 0.0 111.308 -178.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.422 HG21 ' HB2' ' A' ' 57' ' ' GLU . 2.5 mp -95.11 64.61 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.216 -179.073 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -164.88 23.83 0.06 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.053 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -139.98 -154.83 6.4 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.794 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -79.67 -9.3 59.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.296 0.57 . . . . 0.0 109.986 178.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -175.7 -167.72 35.06 Favored Glycine 0 N--CA 1.442 -0.922 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -106.61 18.88 21.3 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.168 0.509 . . . . 0.0 110.547 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.28 55.48 4.75 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.182 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.0 tt -78.58 -67.83 0.7 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -96.56 -44.25 7.24 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.75 92.05 8.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.77 176.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 36.1 p -77.83 -43.75 29.45 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.011 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 54.47 65.22 1.56 Allowed 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.166 0.507 . . . . 0.0 110.459 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -90.71 -49.36 6.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.408 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.5 p -87.21 65.99 9.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.467 0.651 . . . . 0.0 110.346 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.7 mtm180 -70.85 -31.75 68.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.391 -178.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -77.38 -18.98 56.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.516 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.75 -39.97 80.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.26 0.552 . . . . 0.0 109.617 173.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -69.68 -49.09 56.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.719 174.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -79.66 71.48 6.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.042 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -85.68 5.73 30.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.211 -175.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -104.74 -71.93 0.72 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.165 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 92.6 mt . . . . . 0 C--O 1.251 1.183 0 O-C-N 123.657 0.598 . . . . 0.0 111.153 -177.692 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 111.978 -0.449 . . . . 0.0 111.978 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 69.1 99.72 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.941 0.877 . . . . 0.0 112.055 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -90.41 179.62 1.85 Allowed 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 124.374 3.383 . . . . 0.0 112.441 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.447 ' HA2' ' HB2' ' A' ' 17' ' ' ARG . . . 73.88 27.9 65.9 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.118 -0.563 . . . . 0.0 112.458 178.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.45 HG22 ' CD2' ' A' ' 16' ' ' PHE . 29.3 m -79.61 -36.32 17.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 111.584 0.216 . . . . 0.0 111.584 -177.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.45 ' CD2' HG22 ' A' ' 15' ' ' VAL . 12.7 p90 -135.14 15.6 3.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.023 0.44 . . . . 0.0 111.223 175.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.447 ' HB2' ' HA2' ' A' ' 14' ' ' GLY . 4.8 mpt_? -74.18 122.22 22.44 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.5 p -65.37 -21.66 66.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.243 -172.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.422 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 74.5 ttt180 65.1 11.21 6.97 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.264 0.554 . . . . 0.0 110.626 177.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.26 34.28 14.87 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.85 -174.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.6 ' HG ' ' CB ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -64.86 118.01 8.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.975 0.417 . . . . 0.0 110.892 179.224 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.3 p -72.07 169.35 16.2 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.872 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -55.71 -41.87 74.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.486 0.184 . . . . 0.0 111.209 -175.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -62.19 -47.69 83.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.412 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.6 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 43.2 mm-40 -61.05 -47.8 84.72 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.401 0.62 . . . . 0.0 109.893 178.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.516 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 67.7 t80 -63.68 -31.23 72.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.59 -178.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.461 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 25.4 t70 -67.45 -45.84 74.83 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.179 177.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -60.85 -41.81 96.6 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 175.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -57.28 -44.77 84.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.159 175.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.516 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 57.7 mtmt -61.6 -47.83 83.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.033 0.444 . . . . 0.0 110.739 178.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -60.12 -37.84 81.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.676 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -72.87 -37.53 67.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.126 177.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.562 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 35.5 ttt180 -69.97 -36.11 74.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.671 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -60.02 -43.8 95.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.033 173.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.0 t -58.33 -32.34 68.41 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.208 178.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.551 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 9.0 mpt_? -91.58 8.4 36.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.175 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.28 29.01 73.81 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 121.202 -0.523 . . . . 0.0 112.471 179.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.38 -27.72 16.07 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.18 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -81.81 70.38 8.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.396 0.617 . . . . 0.0 110.72 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.562 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 30.6 t80 -146.81 108.03 4.23 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.478 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.42 173.13 12.31 Favored 'General case' 0 CA--C 1.499 -0.997 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.569 178.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.624 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -71.82 -27.09 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.507 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.082 179.524 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.94 -35.16 77.95 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.637 -176.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.462 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 5.9 t70 -69.14 -34.37 74.91 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 177.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.445 ' CE2' ' HD2' ' A' ' 49' ' ' ARG . 91.4 t80 -69.12 -47.65 64.55 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.237 173.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.625 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 80.1 mt -64.34 -32.19 73.69 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.416 -176.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.9 -40.12 72.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.723 0.297 . . . . 0.0 110.569 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.588 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 10.5 t70 -73.67 -33.05 64.28 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 175.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.445 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 39.5 ttt-85 -61.84 -35.61 78.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.076 176.103 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.625 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 7.2 mm-40 -59.96 -34.65 73.55 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.136 174.065 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.508 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 35.7 mtt180 -74.71 -40.3 61.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.397 175.522 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.728 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 41.9 mt-10 -59.12 -31.39 68.89 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.754 -176.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -50.49 -42.63 54.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.872 0.368 . . . . 0.0 111.839 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 12.1 pt-20 -88.0 -17.33 31.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.083 0.468 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 72.2 mt -90.53 -11.31 40.51 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.249 -175.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.728 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 78.7 mt -71.67 -174.64 1.17 Allowed 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.964 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 62.47 -156.42 0.34 Allowed 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.181 -174.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.494 ' N ' ' HD2' ' A' ' 58' ' ' ARG . 8.1 mpt_? -80.02 162.35 24.92 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.052 0.453 . . . . 0.0 110.465 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -138.91 -64.64 0.5 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.138 -177.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -80.69 -10.85 59.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.603 -176.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.55 -71.04 0.13 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.976 -175.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.421 ' H ' ' CD1' ' A' ' 64' ' ' ILE . 40.7 tt0 -166.48 94.03 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.762 0.315 . . . . 0.0 111.719 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 50.4 62.23 2.79 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 169.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.421 ' CD1' ' H ' ' A' ' 62' ' ' GLU . 4.6 mp -109.78 -25.67 3.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.468 0.651 . . . . 0.0 110.525 177.293 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -95.65 13.18 27.18 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.067 -174.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 155.26 -165.56 32.36 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.965 -0.636 . . . . 0.0 111.679 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -78.55 112.09 15.27 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.74 -167.34 54.84 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.282 -175.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -141.32 -67.44 0.4 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 117.166 0.483 . . . . 0.0 111.065 176.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 56.04 27.76 52.09 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.887 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 61.3 tp -93.32 -53.66 4.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.08 0.467 . . . . 0.0 110.022 -179.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -151.01 155.12 38.39 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.738 179.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -138.21 176.3 8.82 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 177.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.3 p 47.58 58.81 4.59 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 123.688 0.617 . . . . 0.0 111.375 -177.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 75' ' ' ARG . 48.1 mtp180 -77.11 71.0 3.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.336 -178.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -114.09 140.68 48.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.83 -176.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 m -81.9 82.61 7.48 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.029 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.6 mtp180 -68.79 -43.24 76.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.614 -174.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -79.5 -14.2 59.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.736 0.303 . . . . 0.0 111.579 -176.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.24 -22.86 54.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.379 0.609 . . . . 0.0 110.025 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -101.07 -66.69 0.9 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.245 177.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -89.56 83.48 6.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.216 0.531 . . . . 0.0 109.86 -177.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.67 -33.52 35.45 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.227 -176.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.49 ' HZ1' ' HB2' ' A' ' 84' ' ' LYS . 0.1 OUTLIER -165.2 118.47 1.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.064 179.04 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 91.3 mt . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.663 -0.684 . . . . 0.0 110.302 -178.626 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.8 0 N-CA-C 111.907 -0.477 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -93.99 133.76 27.11 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-O 120.74 0.305 . . . . 0.0 110.985 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -89.46 174.82 3.42 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 123.265 2.643 . . . . 0.0 112.669 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.69 117.45 1.5 Allowed Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.7 m -68.8 -37.36 77.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.231 0.538 . . . . 0.0 110.032 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -101.02 89.66 3.9 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 174.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.532 ' HG3' ' H ' ' A' ' 18' ' ' THR . 20.9 tpt180 -89.87 -142.87 0.16 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.609 -171.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.532 ' H ' ' HG3' ' A' ' 17' ' ' ARG . 1.6 p -80.37 128.54 33.67 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -173.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -82.78 58.02 4.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.363 0.602 . . . . 0.0 110.356 175.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.19 53.44 18.1 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.92 -177.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.587 ' HG ' ' HB2' ' A' ' 25' ' ' GLU . 1.2 tp -80.47 122.96 27.64 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.8 p -73.04 168.96 17.98 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.453 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.23 -34.04 70.0 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.415 -176.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -65.74 -52.4 51.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 111.055 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.587 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 28.1 mt-10 -62.66 -43.58 98.46 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.334 0.588 . . . . 0.0 110.34 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.518 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 55.6 t80 -67.29 -29.15 68.66 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.367 -179.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.437 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 36.8 t70 -69.51 -45.77 68.13 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 177.271 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.422 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 18.3 tp10 -58.94 -43.95 91.3 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 175.13 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -56.49 -44.68 80.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.018 174.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 56.9 mtmt -62.77 -46.55 87.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.527 0.203 . . . . 0.0 111.018 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.422 ' HE2' ' HA ' ' A' ' 28' ' ' GLU . 43.8 mtmt -60.3 -45.81 92.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.214 0.53 . . . . 0.0 110.202 177.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.501 HH12 ' HB3' ' A' ' 48' ' ' ASP . 77.6 mtt180 -60.98 -40.67 94.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.143 177.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.545 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 20.2 ttt180 -70.2 -33.04 71.21 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.411 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -64.21 -39.69 94.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.235 0.541 . . . . 0.0 109.694 171.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.3 t -61.14 -23.78 65.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.741 178.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.516 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 9.5 mpt_? -104.34 10.59 35.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.263 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.53 30.56 74.85 Favored Glycine 0 CA--C 1.518 0.227 0 C-N-CA 121.079 -0.582 . . . . 0.0 112.509 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.57 -25.18 28.98 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.633 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.89 65.37 7.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.336 0.588 . . . . 0.0 110.972 -178.08 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.545 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 35.7 t80 -145.96 109.87 4.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.045 -179.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.48 164.52 16.11 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.134 -179.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.722 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 3.1 tp -62.96 -29.57 47.49 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.419 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.85 -42.3 97.61 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.317 0.103 . . . . 0.0 111.118 -177.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.434 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 7.8 t70 -61.06 -37.27 82.05 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 178.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -68.74 -48.49 63.64 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.194 174.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.722 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 96.6 mt -60.38 -34.55 74.05 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 123.308 0.643 . . . . 0.0 111.963 -175.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.26 -38.83 88.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.085 0.469 . . . . 0.0 110.58 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.501 ' HB3' HH12 ' A' ' 32' ' ' ARG . 19.0 t70 -76.65 -35.43 57.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.413 176.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.465 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 65.7 ttt-85 -60.35 -41.2 93.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.757 176.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -55.58 -31.71 62.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.498 175.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.641 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 26.1 mtt180 -76.08 -46.19 30.26 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.12 174.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.705 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 50.2 mt-10 -56.79 -31.58 64.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.584 -177.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 49' ' ' ARG . 21.2 mm-40 -52.05 -43.19 63.66 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.246 0.342 . . . . 0.0 111.349 177.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 12.8 pt-20 -88.76 -16.52 31.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.845 0.355 . . . . 0.0 111.124 179.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 89.6 mt -82.71 -28.81 30.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.482 -175.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.705 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 1.9 pp -87.03 -165.59 1.33 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.243 179.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -51.49 116.78 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.295 0.569 . . . . 0.0 112.33 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -111.38 127.81 55.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.059 177.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -74.05 -23.23 59.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.773 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -75.64 -13.52 60.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.494 -178.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -70.47 -68.14 0.45 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.017 -175.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 69' ' ' PHE . 9.0 tp10 -161.89 -95.47 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.139 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.536 ' HA ' ' O ' ' A' ' 68' ' ' GLY . . . -114.33 74.46 0.87 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.195 0.522 . . . . 0.0 111.05 -175.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.416 HD11 ' N ' ' A' ' 63' ' ' ALA . 4.7 mp -123.58 -23.75 2.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.862 -176.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.654 ' CZ ' ' HA ' ' A' ' 69' ' ' PHE . 18.3 p90 -102.54 135.6 43.88 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.368 -173.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 57.36 -121.47 25.6 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.85 -0.613 . . . . 0.0 112.693 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -76.61 -19.0 58.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.093 0.473 . . . . 0.0 110.596 -179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.536 ' O ' ' HA ' ' A' ' 63' ' ' ALA . . . 152.02 -82.24 0.18 Allowed Glycine 0 N--CA 1.442 -0.948 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -176.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.654 ' HA ' ' CZ ' ' A' ' 65' ' ' PHE . 36.4 p90 -154.77 172.61 17.67 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 139.15 44.51 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.587 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.4 mt -127.26 -65.58 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.664 0.269 . . . . 0.0 110.449 177.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -150.59 153.53 35.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.496 177.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.62 -58.75 0.44 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.264 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.2 m -83.56 97.68 9.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.769 -178.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.417 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 24.0 ptt180 -114.59 70.7 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.543 0.687 . . . . 0.0 110.706 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -74.25 -23.73 59.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.565 -178.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.1 p -93.68 128.41 39.86 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.995 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -95.12 -23.64 17.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.703 177.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -128.58 -24.73 2.98 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.344 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.82 66.14 5.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.34 0.591 . . . . 0.0 111.018 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -117.51 137.87 52.27 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -143.11 57.81 1.4 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.27 0.557 . . . . 0.0 110.222 -175.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -138.31 -50.76 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.134 -177.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -112.38 82.71 1.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.304 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.1 mt . . . . . 0 C--O 1.245 0.868 0 CA-C-O 118.335 -0.84 . . . . 0.0 110.295 179.96 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.797 0 N-CA-C 111.798 -0.521 . . . . 0.0 111.798 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -152.83 159.96 31.67 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -177.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -76.81 62.34 7.26 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.105 2.536 . . . . 0.0 112.337 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.06 -3.37 54.61 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.181 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -71.85 -36.36 58.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.952 0.406 . . . . 0.0 111.131 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -154.03 136.96 15.41 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -114.83 -168.22 1.35 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.893 -173.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 p -57.72 122.96 14.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.898 0.38 . . . . 0.0 111.909 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -82.05 53.31 2.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.183 0.516 . . . . 0.0 110.297 175.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.89 50.49 29.25 Favored Glycine 0 CA--C 1.505 -0.569 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.81 -175.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.617 ' HG ' ' HB2' ' A' ' 25' ' ' GLU . 1.7 tp -80.41 126.21 30.9 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 45.9 p -74.68 160.69 30.47 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.21 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -51.16 -42.38 60.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 123.242 0.339 . . . . 0.0 111.79 -173.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -63.09 -47.55 82.39 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 111.697 0.258 . . . . 0.0 111.697 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.617 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 36.5 mt-10 -63.63 -42.7 98.14 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 121.184 0.516 . . . . 0.0 109.974 179.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.648 ' CE2' ' HD2' ' A' ' 30' ' ' LYS . 74.6 t80 -66.83 -39.23 87.58 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.43 -179.189 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.518 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 23.1 t70 -59.41 -47.15 86.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.151 0.5 . . . . 0.0 110.217 175.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.5 ' HA ' ' CE ' ' A' ' 31' ' ' LYS . 41.1 tt0 -61.28 -44.79 96.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.66 178.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.459 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 37.2 t80 -55.08 -45.94 75.42 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.924 -1.034 . . . . 0.0 111.088 174.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.648 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 22.3 mtpp -61.26 -48.25 82.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.934 178.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.5 ' CE ' ' HA ' ' A' ' 28' ' ' GLU . 52.7 mtmt -59.08 -45.02 91.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.177 0.513 . . . . 0.0 110.275 177.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.45 ' O ' ' HD2' ' A' ' 36' ' ' ARG . 84.9 mtt180 -61.19 -48.78 79.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.15 176.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.542 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 33.8 ttt180 -62.44 -37.38 85.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.691 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.63 -45.69 91.22 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.049 174.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 70.9 m -63.91 -29.47 70.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.887 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.5 ' HD3' ' CD1' ' A' ' 40' ' ' TYR . 3.4 mpt_? -88.44 14.59 9.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 111.011 177.296 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.34 27.89 72.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.466 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.46 -23.24 33.02 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 121.178 -0.534 . . . . 0.0 112.056 -178.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.93 71.32 10.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.335 0.588 . . . . 0.0 110.833 -177.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.542 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 21.9 t80 -152.45 99.05 2.45 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.45 169.07 18.94 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.987 -178.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.731 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 5.6 tp -62.52 -37.43 78.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 177.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -62.49 -37.8 87.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.258 -177.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -57.88 -43.35 85.97 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.364 0.602 . . . . 0.0 109.469 175.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.436 ' CE2' HD21 ' A' ' 21' ' ' LEU . 82.7 t80 -71.29 -41.79 69.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.573 177.268 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.731 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 85.5 mt -64.01 -38.43 91.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.859 -174.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.17 -34.83 79.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.759 0.314 . . . . 0.0 110.76 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.569 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 36.3 t70 -78.12 -36.03 48.44 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 175.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 49.3 ttt-85 -57.1 -43.77 82.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.195 175.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -56.37 -31.46 63.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.679 175.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.602 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 10.3 mtt180 -80.71 -33.8 35.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.457 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.569 ' HG3' ' O ' ' A' ' 48' ' ' ASP . 38.2 mt-10 -62.61 -28.29 69.79 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.411 -172.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -62.79 -34.31 77.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.564 0.221 . . . . 0.0 111.548 -176.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 10.3 pt-20 -87.52 -16.31 35.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.187 0.517 . . . . 0.0 110.581 178.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 68.5 mt -90.39 -35.47 15.16 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.31 -177.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mp -61.18 -43.78 98.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.411 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -105.23 131.1 53.13 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.094 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.483 ' O ' HD13 ' A' ' 64' ' ' ILE . 10.8 tpt180 -154.64 99.51 2.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.936 0.398 . . . . 0.0 110.191 177.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.53 -32.0 62.56 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.872 178.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -76.02 -9.74 58.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.288 -0.869 . . . . 0.0 112.048 -175.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -75.93 -71.51 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.904 -0.319 . . . . 0.0 111.113 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -139.08 -87.38 0.22 Allowed 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.427 -175.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -133.04 32.53 3.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.967 0.413 . . . . 0.0 111.331 -176.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.483 HD13 ' O ' ' A' ' 58' ' ' ARG . 3.2 mp -88.83 64.36 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-O 121.323 0.582 . . . . 0.0 109.827 -175.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -169.19 -25.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.742 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 127.08 174.99 13.94 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 34.4 t70 68.99 -62.51 0.4 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.46 0.704 . . . . 0.0 111.773 178.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 149.09 -172.37 29.2 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -109.0 35.1 3.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.484 0.659 . . . . 0.0 110.677 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.61 -21.7 79.17 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.297 174.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.7 mt -65.42 -43.3 90.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.021 0.438 . . . . 0.0 110.169 176.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -150.47 126.6 10.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.926 -179.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -143.84 -65.15 0.37 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.102 177.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.5 m -73.91 113.85 11.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.717 176.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -73.74 87.59 1.72 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.005 -176.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -76.29 128.56 35.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.477 -177.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.9 m -85.09 70.21 10.87 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 173.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -70.23 -60.34 2.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.701 -173.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.455 ' HD3' ' O ' ' A' ' 79' ' ' LYS . 11.8 tmtt? -87.74 -35.3 17.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.809 -176.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.72 66.71 7.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.69 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.407 ' O ' ' HB3' ' A' ' 82' ' ' ARG . 12.0 tp10 -71.86 -50.29 30.78 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.0 179.224 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.457 ' HD3' ' HB2' ' A' ' 85' ' ' LEU . 36.0 ttm180 73.26 -55.71 0.67 Allowed 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.62 0.575 . . . . 0.0 112.496 171.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 60.26 64.23 1.26 Allowed 'General case' 0 C--O 1.238 0.45 0 CA-C-O 120.923 0.392 . . . . 0.0 110.589 -177.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt 69.99 146.72 0.06 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.748 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.457 ' HB2' ' HD3' ' A' ' 82' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.477 -0.773 . . . . 0.0 109.325 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.543 ' O ' ' HB3' ' A' ' 41' ' ' SER . . . . . . . . 0 N--CA 1.484 1.864 0 N-CA-C 112.09 -0.404 . . . . 0.0 112.09 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.415 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 99.5 mtt180 -76.64 131.39 74.16 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 120.576 0.227 . . . . 0.0 110.901 -177.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 12' ' ' ARG . 24.2 Cg_exo -64.54 120.27 7.52 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.983 2.455 . . . . 0.0 112.497 -178.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.69 -12.33 32.88 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.479 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.5 p -134.28 -46.11 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.877 0.37 . . . . 0.0 110.998 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -87.17 75.85 9.33 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 177.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -75.39 81.68 2.47 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.326 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.437 ' HB ' ' HB2' ' A' ' 21' ' ' LEU . 7.5 p 68.28 164.96 0.24 Allowed 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 124.827 1.251 . . . . 0.0 111.771 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -99.04 36.87 1.62 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.656 177.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.12 51.14 3.25 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.283 -175.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.516 ' HG ' ' HB2' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -77.61 115.53 17.44 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.169 0.509 . . . . 0.0 110.384 -178.872 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.1 p -71.47 166.43 21.76 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.897 176.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -54.64 -39.77 68.33 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.413 0.149 . . . . 0.0 111.265 -174.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.61 -50.36 72.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.356 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.516 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 56.4 mm-40 -61.74 -45.68 92.87 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.24 0.543 . . . . 0.0 110.191 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.567 ' CE2' ' HD2' ' A' ' 30' ' ' LYS . 75.3 t80 -63.82 -37.18 86.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.515 -178.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.526 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 33.6 t70 -60.64 -45.36 94.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.455 176.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -62.13 -45.46 93.36 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.663 177.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -55.24 -44.44 75.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.111 176.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.567 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 22.9 mtpp -60.13 -49.29 78.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.74 177.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -56.89 -44.01 81.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.44 0.638 . . . . 0.0 110.322 178.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -68.93 -42.33 76.91 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.361 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.554 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 39.4 ttt180 -65.4 -37.76 87.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.844 179.048 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -61.93 -42.78 99.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.047 0.451 . . . . 0.0 110.139 175.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.7 t -60.69 -38.69 85.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.998 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.506 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 3.5 mpt_? -81.37 4.07 22.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.797 0.332 . . . . 0.0 111.331 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.42 31.65 63.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.551 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.32 -17.57 42.38 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.189 -0.529 . . . . 0.0 111.936 -179.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -85.2 63.24 7.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.354 0.597 . . . . 0.0 110.174 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.554 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 16.2 t80 -146.01 103.87 3.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.639 -178.245 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.543 ' HB3' ' O ' ' A' ' 11' ' ' GLY . 0.2 OUTLIER -78.86 169.28 18.46 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.681 179.02 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.642 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 3.1 tp -69.11 -34.53 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.117 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -66.78 -34.1 77.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.732 0.301 . . . . 0.0 110.915 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -64.3 -35.36 80.61 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 174.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.539 ' CE2' ' HD2' ' A' ' 49' ' ' ARG . 81.9 t80 -71.86 -49.47 37.89 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.067 173.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.642 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 86.1 mt -59.29 -30.76 68.55 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.809 -175.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.63 -43.75 75.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.808 0.337 . . . . 0.0 111.16 177.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.587 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 37.7 t70 -77.2 -27.02 53.41 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.539 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 50.0 ttt-85 -65.42 -38.21 89.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.676 174.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.641 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 63.1 mm-40 -56.26 -34.6 66.55 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.631 172.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.569 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 3.1 mmp_? -69.85 -51.96 28.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.224 174.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.74 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 40.9 mt-10 -52.41 -47.31 66.38 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 114.839 -1.073 . . . . 0.0 112.405 -175.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -55.47 -35.88 65.98 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -173.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -87.67 -19.49 27.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.101 0.477 . . . . 0.0 110.718 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 94.9 mt -90.24 -10.32 44.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.026 -177.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.74 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 85.1 mt -76.85 -152.79 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.576 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.63 ' O ' HD13 ' A' ' 64' ' ' ILE . 48.2 mt-10 69.76 -66.59 0.26 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.341 0.656 . . . . 0.0 110.674 -177.052 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -49.33 113.57 0.84 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.297 0.373 . . . . 0.0 110.435 176.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.3 t70 75.48 -49.79 0.63 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.475 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -58.7 -38.87 79.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.33 -177.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.473 ' HB2' ' HA ' ' A' ' 57' ' ' GLU . 29.8 tt0 -87.96 14.41 9.0 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.82 0.343 . . . . 0.0 111.849 -173.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 77.61 -25.07 0.2 Allowed 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 165.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -129.96 64.01 1.53 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.396 -0.815 . . . . 0.0 112.405 -175.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.63 HD13 ' O ' ' A' ' 57' ' ' GLU . 5.2 mp -143.16 -48.06 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-O 121.331 0.586 . . . . 0.0 110.661 177.067 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -64.6 155.77 32.15 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.931 -174.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.78 169.56 42.76 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.829 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -90.08 39.59 0.97 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.625 0.726 . . . . 0.0 109.449 176.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 169.93 92.11 0.08 OUTLIER Glycine 0 N--CA 1.44 -1.091 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.567 -176.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -86.53 20.49 2.45 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.032 0.444 . . . . 0.0 111.297 -175.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -83.43 49.38 4.22 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.648 175.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.3 mt -95.0 -72.45 0.62 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.918 0.39 . . . . 0.0 110.356 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -131.1 73.18 1.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.41 21.54 2.44 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.015 0.436 . . . . 0.0 111.111 -177.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.5 p -97.42 142.94 28.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.612 178.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -94.11 -5.25 47.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.268 0.556 . . . . 0.0 110.369 177.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 61.75 45.77 7.56 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 114.676 -1.147 . . . . 0.0 110.543 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.0 p -79.39 119.96 23.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.802 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -121.32 1.8 10.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.144 0.497 . . . . 0.0 110.054 177.066 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.445 ' O ' ' HG2' ' A' ' 82' ' ' ARG . 67.4 mttm -132.76 37.23 3.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.051 177.15 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.35 -12.23 59.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.016 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -64.09 -38.06 89.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.49 176.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 37.8 ptt180 -84.87 -1.11 56.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.713 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 67.21 -68.95 0.14 Allowed 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.924 0.765 . . . . 0.0 111.157 -176.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -123.47 -75.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.959 177.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.1 mt . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.559 -178.426 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.3 p . . . . . 0 N--CA 1.442 -0.869 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -51.22 -41.74 60.49 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.665 0.269 . . . . 0.0 111.46 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -66.6 -49.62 65.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.969 -176.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -65.35 -36.43 84.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.105 0.478 . . . . 0.0 109.844 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.579 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 68.2 t80 -71.0 -36.84 72.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.534 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.42 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 11.8 t70 -66.64 -42.2 87.1 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -59.25 -45.32 91.49 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.435 173.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -58.81 -43.53 90.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.191 176.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.579 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 53.0 mtmt -61.34 -46.93 88.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.783 0.325 . . . . 0.0 110.3 178.248 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -57.86 -47.76 81.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.4 0.619 . . . . 0.0 110.686 176.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.411 ' O ' ' HB3' ' A' ' 35' ' ' SER . 83.7 mtt180 -65.73 -34.01 77.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.196 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.58 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 22.6 ttt180 -73.3 -37.38 66.22 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 177.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.69 -37.35 86.1 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.411 ' HB3' ' O ' ' A' ' 32' ' ' ARG . 44.7 t -58.06 -30.7 66.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.808 175.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.581 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 8.4 mpt_? -97.45 13.42 29.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.349 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.61 27.3 70.75 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.755 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.9 -12.81 69.11 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.397 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -87.57 60.12 5.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.293 0.568 . . . . 0.0 110.492 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.581 ' HB2' ' HB2' ' A' ' 36' ' ' ARG . 14.5 t80 -145.17 98.22 3.13 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.081 -178.301 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.62 168.22 19.14 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.236 -0.585 . . . . 0.0 109.911 -176.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.06 -33.75 59.92 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.917 0 C-N-CA 120.109 -0.636 . . . . 0.0 110.113 -178.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -66.98 -32.79 74.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.694 0.283 . . . . 0.0 110.779 -177.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -65.04 -39.99 94.15 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 173.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 86.6 t80 . . . . . 0 C--O 1.214 -0.799 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.568 175.914 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.1 p . . . . . 0 N--CA 1.445 -0.704 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -57.8 -34.02 69.18 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.333 -177.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -64.9 -49.35 70.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.737 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -63.9 -40.02 95.53 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.082 0.468 . . . . 0.0 110.151 178.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.585 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 64.0 t80 -67.5 -40.17 85.2 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.25 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.509 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 24.5 t70 -61.64 -45.82 92.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.88 176.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.425 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 33.1 tt0 -57.13 -47.93 79.91 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.563 174.558 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -53.25 -46.6 69.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.044 176.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.585 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 49.3 mtmt -60.85 -46.71 89.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.344 . . . . 0.0 110.708 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -62.02 -41.82 98.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.418 0.628 . . . . 0.0 110.39 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 38.4 mtp180 -67.33 -38.73 85.35 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.794 178.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.586 ' HA ' ' HB3' ' A' ' 40' ' ' TYR . 15.6 ttt180 -67.6 -39.5 84.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 177.071 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -61.19 -38.11 85.37 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.911 174.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.8 t -64.26 -23.34 67.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.924 177.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.579 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 5.8 mpt_? -99.38 8.0 45.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.932 178.138 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.15 29.98 75.98 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.417 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.75 -17.55 57.58 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.451 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.15 60.3 6.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.441 0.638 . . . . 0.0 110.508 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.586 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . 20.0 t80 -148.85 105.25 3.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.512 -178.329 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.06 170.08 11.85 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 120.021 -0.671 . . . . 0.0 109.575 178.552 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.27 -26.7 27.36 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.29 0 C-N-CA 119.739 -0.785 . . . . 0.0 110.433 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -62.28 -36.49 82.25 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 176.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -63.49 -44.88 93.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.445 173.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 82.6 t80 . . . . . 0 C--O 1.22 -0.466 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.434 176.176 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.4 p . . . . . 0 N--CA 1.445 -0.679 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -66.74 -15.74 63.76 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.853 0.359 . . . . 0.0 110.651 178.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -82.46 -53.67 5.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.438 176.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -59.68 -40.38 87.62 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.424 0.63 . . . . 0.0 110.154 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.577 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 52.3 t80 -69.4 -34.08 73.97 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.7 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -65.75 -44.2 86.63 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.597 ' HA ' ' CE ' ' A' ' 31' ' ' LYS . 24.0 tp10 -58.11 -42.67 86.22 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.782 174.299 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.425 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 34.7 t80 -59.93 -43.92 94.66 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.223 176.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.577 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 51.2 mtmt -63.01 -48.49 78.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.496 0.189 . . . . 0.0 110.599 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.597 ' CE ' ' HA ' ' A' ' 28' ' ' GLU . 49.2 mtmt -54.96 -46.92 75.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.545 0.688 . . . . 0.0 110.076 177.035 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.523 ' O ' ' HD2' ' A' ' 36' ' ' ARG . 63.9 mtt180 -62.74 -47.68 82.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.413 178.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.517 ' HD2' ' O ' ' A' ' 40' ' ' TYR . 25.0 ttt180 -62.83 -40.42 97.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.891 -178.633 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -61.28 -40.88 95.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.013 0.435 . . . . 0.0 110.309 176.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.0 t -64.22 -28.44 69.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.715 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.523 ' HD2' ' O ' ' A' ' 32' ' ' ARG . 2.5 mpt_? -89.92 10.19 24.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.007 177.239 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.09 20.71 78.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.699 177.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.86 -7.46 76.85 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.199 -178.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -94.05 67.01 3.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.295 0.569 . . . . 0.0 110.202 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.517 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 20.2 t80 -150.78 101.94 2.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.76 -176.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.27 167.5 21.75 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.454 -179.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.425 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . 1.4 tp -66.73 -35.43 74.76 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.136 178.323 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -68.46 -28.61 67.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 123.148 0.28 . . . . 0.0 110.578 -177.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -65.97 -36.09 82.38 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 172.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 82.5 t80 . . . . . 0 C--O 1.219 -0.513 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.572 175.729 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.445 -0.71 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -54.42 -39.72 67.6 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 123.002 0.188 . . . . 0.0 111.426 -175.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.19 -38.8 88.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.603 0.24 . . . . 0.0 111.452 -177.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -73.01 -46.26 53.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.315 0.579 . . . . 0.0 109.703 177.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.556 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 59.9 t80 -64.91 -33.04 75.08 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.3 -178.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.03 -45.78 76.44 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.761 177.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -57.23 -44.12 83.5 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 174.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' A' ' 26' ' ' TYR . 23.6 t80 -56.7 -45.51 81.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.2 175.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.556 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 54.1 mtmt -61.49 -46.8 88.48 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 120.735 0.303 . . . . 0.0 110.741 178.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -59.14 -44.82 92.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.331 0.586 . . . . 0.0 110.333 177.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.403 ' O ' ' HD2' ' A' ' 36' ' ' ARG . 98.8 mtt180 -65.33 -42.77 92.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.052 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.563 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 15.0 ttt180 -63.0 -39.03 93.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.257 178.138 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -62.73 -37.85 88.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.289 174.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.6 t -69.75 -26.11 64.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.853 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.533 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 5.9 mpt_? -91.75 6.45 45.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.948 176.135 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.49 26.55 73.96 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.83 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.94 -20.95 47.64 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.599 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.19 62.92 7.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.427 0.632 . . . . 0.0 110.671 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.563 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 16.4 t80 -144.33 102.51 3.85 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.522 -179.316 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.81 171.55 13.01 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 120.454 -0.498 . . . . 0.0 109.947 178.386 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -70.67 -31.15 45.11 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.958 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.46 -177.613 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.89 -37.97 80.91 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.141 -0.224 . . . . 0.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.422 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 4.9 t70 -68.34 -36.59 79.48 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.211 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.464 ' HA ' ' OH ' ' A' ' 40' ' ' TYR . 78.7 t80 . . . . . 0 C--O 1.221 -0.399 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.928 173.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.5 p . . . . . 0 N--CA 1.448 -0.574 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -58.08 -39.41 78.48 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 121.233 -0.187 . . . . 0.0 111.179 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -69.21 -45.91 68.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.368 -178.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.47 -44.83 96.4 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.357 0.599 . . . . 0.0 109.619 176.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.564 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 59.4 t80 -66.97 -36.76 82.9 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.653 -178.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.485 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 33.5 t70 -64.66 -42.93 95.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.984 0.421 . . . . 0.0 110.254 177.011 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -61.79 -44.26 97.21 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.22 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -56.83 -44.77 82.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.89 174.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.564 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 56.1 mtmt -59.8 -51.02 71.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.622 0.248 . . . . 0.0 110.632 178.315 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -54.68 -46.79 74.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.456 0.646 . . . . 0.0 110.594 177.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -67.42 -37.46 83.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.366 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.59 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 17.9 ttt180 -70.24 -39.15 75.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.562 178.33 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.64 -41.31 94.64 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.5 t -59.89 -36.54 77.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.694 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.601 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 6.5 mpt_? -87.59 12.99 11.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.561 179.295 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.52 34.43 89.1 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.552 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.8 -19.66 19.52 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.23 -0.509 . . . . 0.0 112.21 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -83.73 57.05 3.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.321 0.582 . . . . 0.0 111.241 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.601 ' HB2' ' HB2' ' A' ' 36' ' ' ARG . 16.5 t80 -137.23 102.28 4.77 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.667 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.66 164.55 25.2 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.657 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -66.21 -31.68 54.71 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.166 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.741 178.08 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -67.45 -29.47 68.95 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.304 -176.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -67.66 -43.97 78.97 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 173.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 90.7 t80 . . . . . 0 C--O 1.216 -0.688 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.326 175.63 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.5 p . . . . . 0 N--CA 1.442 -0.84 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -57.88 -34.11 69.43 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.549 0.214 . . . . 0.0 111.197 -177.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 25' ' ' GLU . 9.5 pt-20 -70.81 -45.83 63.92 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.756 -0.202 . . . . 0.0 111.02 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.468 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 21.7 mt-10 -67.82 -41.12 83.55 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.049 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.557 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 73.5 t80 -66.85 -36.35 82.13 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.441 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -63.94 -46.11 86.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.213 0.53 . . . . 0.0 109.98 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -62.57 -37.8 87.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.734 177.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 45' ' ' TYR . 15.4 t80 -63.48 -43.07 98.34 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.726 174.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.557 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 50.2 mtmt -60.11 -42.26 94.35 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 177.551 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -62.69 -48.28 79.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.465 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -65.0 -33.46 76.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.975 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.64 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 50.0 ttt180 -74.47 -35.67 63.29 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.366 177.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -63.86 -35.51 80.89 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 173.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.0 t -63.33 -17.19 62.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.884 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.567 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 4.8 mpt_? -112.32 17.65 19.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 178.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.88 15.31 64.53 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.909 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.86 -16.22 54.67 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.05 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -88.8 62.94 6.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.607 0.717 . . . . 0.0 110.815 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.64 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 27.2 t80 -142.18 104.88 4.52 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.999 -1.0 . . . . 0.0 108.616 -177.378 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.06 166.36 19.82 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.751 -175.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.8 tp -61.74 -33.97 60.11 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.891 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.226 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -63.78 -33.28 75.31 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.951 0.405 . . . . 0.0 110.686 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -70.65 -33.52 71.05 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.474 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 83.2 t80 . . . . . 0 C--O 1.222 -0.367 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.97 172.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.5 p . . . . . 0 N--CA 1.445 -0.693 0 CA-C-O 120.877 0.37 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -67.81 -15.8 63.8 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 120.79 0.329 . . . . 0.0 110.117 177.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -83.02 -55.92 4.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.355 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -57.15 -40.96 78.27 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 121.335 0.588 . . . . 0.0 109.933 178.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.524 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 59.0 t80 -69.81 -34.63 73.97 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.929 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.484 ' OD2' ' HE3' ' A' ' 31' ' ' LYS . 36.6 t70 -68.64 -41.61 79.17 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.34 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -58.9 -47.2 85.82 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.424 173.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -56.56 -41.83 77.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.999 176.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 41.7 mtmt -63.96 -46.96 82.31 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.311 -0.156 . . . . 0.0 110.844 178.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.484 ' HE3' ' OD2' ' A' ' 27' ' ' ASP . 94.8 mttt -58.35 -43.45 88.35 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.51 0.672 . . . . 0.0 110.049 178.423 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -65.03 -48.26 74.48 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.01 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.562 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 19.8 ttt180 -64.2 -32.99 74.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.96 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -63.7 -41.38 98.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.217 0.532 . . . . 0.0 109.84 175.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.5 t -63.55 -32.58 74.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.834 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.583 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 6.9 mpt_? -88.09 6.98 33.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.14 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.48 26.48 73.62 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.712 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.34 -17.77 58.67 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.853 -177.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -84.41 57.73 4.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.423 0.63 . . . . 0.0 110.741 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.583 ' HB2' ' HB2' ' A' ' 36' ' ' ARG . 20.8 t80 -141.66 104.8 4.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.345 -178.501 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.79 166.7 19.78 Favored 'General case' 0 C--N 1.312 -1.052 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.095 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -66.1 -31.12 52.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.371 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -65.77 -37.51 86.54 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.48 0.178 . . . . 0.0 111.48 -176.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.549 ' OD2' ' HE1' ' A' ' 40' ' ' TYR . 5.2 t70 -64.92 -32.48 74.21 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 175.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 94.0 t80 . . . . . 0 C--O 1.217 -0.653 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.525 174.028 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.7 p . . . . . 0 N--CA 1.438 -1.038 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -56.41 -33.04 65.42 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 118.201 0.455 . . . . 0.0 110.374 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -66.86 -54.94 17.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.435 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.92 -36.06 82.71 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.932 0.396 . . . . 0.0 110.217 -178.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.542 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 56.0 t80 -70.66 -33.94 71.49 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.291 178.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -65.66 -45.65 82.13 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 177.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -58.0 -42.87 86.11 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.529 173.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -58.92 -45.47 90.28 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.011 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.542 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 50.4 mtmt -60.68 -48.64 80.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.005 0.431 . . . . 0.0 109.962 176.177 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -56.07 -44.89 79.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.966 177.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -70.32 -38.78 74.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.132 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.556 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 27.7 ttt180 -69.09 -35.83 76.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.408 177.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.67 -40.04 90.63 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.078 175.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -60.98 -34.12 74.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.428 177.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.541 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 7.4 mpt_? -87.84 5.94 37.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.305 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.83 21.7 76.7 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.453 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.19 -19.58 50.89 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.085 -177.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -83.04 61.78 6.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.067 0.46 . . . . 0.0 110.767 -178.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.556 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 22.1 t80 -148.54 103.77 3.44 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.907 -177.128 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.34 167.79 19.1 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.588 0.709 . . . . 0.0 111.163 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.436 HD12 ' HA ' ' A' ' 42' ' ' ILE . 3.5 tp -67.16 -22.81 29.65 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.036 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.911 178.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -73.79 -33.07 64.06 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.17 -0.212 . . . . 0.0 110.751 -177.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -70.15 -37.49 75.25 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 175.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 59.7 t80 . . . . . 0 C--O 1.222 -0.347 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.44 174.346 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.9 p . . . . . 0 N--CA 1.443 -0.787 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -58.46 -34.8 71.27 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.307 178.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.77 -51.71 45.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.005 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -61.71 -42.54 99.08 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.24 0.543 . . . . 0.0 110.201 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.624 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 57.4 t80 -66.43 -36.55 83.07 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.324 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -64.26 -45.92 86.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.403 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -62.14 -38.51 89.23 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.431 176.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.407 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 41.3 t80 -61.46 -44.23 97.47 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.582 176.004 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.624 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 49.1 mtmt -63.5 -45.47 90.54 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.252 0.549 . . . . 0.0 109.775 176.566 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -54.78 -45.47 74.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.507 176.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -70.41 -43.08 70.74 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.742 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.556 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 40.8 ttt180 -66.39 -32.76 74.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.466 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -61.17 -40.75 95.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.544 174.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.7 t -63.61 -28.47 69.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.602 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.544 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 7.0 mpt_? -93.73 11.77 27.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.196 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.04 27.87 73.21 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.623 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.27 -14.69 63.97 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.139 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -90.86 72.1 6.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.241 0.543 . . . . 0.0 111.158 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.556 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 33.5 t80 -150.48 105.16 3.29 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.509 -177.24 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.36 163.24 27.66 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.366 0.603 . . . . 0.0 111.016 -178.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.407 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -69.25 -31.23 48.96 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.976 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.627 178.539 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -70.22 -28.77 65.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 -177.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -63.69 -44.14 94.54 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 172.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 90.0 t80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.983 176.831 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.7 p . . . . . 0 N--CA 1.44 -0.947 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -58.56 -38.25 77.43 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 120.512 0.196 . . . . 0.0 111.321 -176.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -69.7 -47.52 62.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.559 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -62.48 -40.94 98.29 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 121.23 0.538 . . . . 0.0 109.733 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.582 ' CE2' ' HD2' ' A' ' 30' ' ' LYS . 62.1 t80 -69.06 -39.92 78.84 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.713 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.507 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 25.5 t70 -58.93 -46.58 87.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.19 0.519 . . . . 0.0 109.933 176.095 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -60.47 -47.49 85.88 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.935 177.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.46 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 45.6 t80 -54.4 -43.82 71.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.1 176.372 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.582 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 21.7 mtpp -62.09 -51.35 68.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.872 178.382 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -58.01 -37.98 75.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.282 0.563 . . . . 0.0 110.528 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -68.87 -48.69 62.79 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.095 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.528 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 21.3 ttt180 -64.51 -35.83 82.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.636 -178.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.52 -40.0 93.07 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.104 175.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.8 t -66.59 -30.03 70.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.778 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.518 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 6.3 mpt_? -89.93 8.2 33.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.288 178.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.75 29.11 74.22 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.536 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.39 -23.3 34.33 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.492 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.0 mttt -83.25 63.52 7.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.431 0.634 . . . . 0.0 110.902 -178.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.528 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 26.5 t80 -146.48 96.75 2.82 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.208 -0.906 . . . . 0.0 108.967 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.31 167.26 21.99 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.25 -177.179 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.46 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . 3.0 tp -62.76 -34.42 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.607 177.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -62.75 -40.41 97.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.196 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -59.39 -32.04 69.79 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.429 0.633 . . . . 0.0 109.613 176.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 86.2 t80 . . . . . 0 C--O 1.216 -0.68 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.013 176.68 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.4 p . . . . . 0 N--CA 1.439 -1.009 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -55.79 -39.61 71.54 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 120.559 0.218 . . . . 0.0 111.018 -178.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -69.27 -40.87 77.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.751 -177.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -66.46 -43.29 85.9 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 176.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.569 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 61.8 t80 -67.44 -37.85 83.62 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.666 -178.341 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -63.27 -45.89 89.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.015 0.436 . . . . 0.0 109.979 176.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.432 ' HA ' ' CE ' ' A' ' 31' ' ' LYS . 53.8 tt0 -58.17 -43.78 87.65 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.472 175.142 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -57.95 -46.49 85.01 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.216 176.013 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.569 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 47.8 mtmt -60.08 -49.11 78.94 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 120.555 0.217 . . . . 0.0 110.961 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.432 ' CE ' ' HA ' ' A' ' 28' ' ' GLU . 40.5 mtmt -60.12 -41.24 92.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.597 178.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -64.17 -45.07 90.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.903 176.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.549 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 54.7 ttt180 -64.58 -34.18 77.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.484 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -64.58 -39.78 94.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.3 175.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.9 m -64.46 -21.39 66.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.064 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.52 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 3.0 mpt_? -100.75 9.22 42.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.843 178.443 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.67 30.21 77.32 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.611 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.6 -21.63 40.01 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.163 -178.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -80.03 63.44 4.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.936 0.398 . . . . 0.0 110.757 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.549 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 23.6 t80 -149.98 101.52 3.03 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 -177.522 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.5 163.9 26.48 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.385 -177.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.5 tp -60.42 -35.5 63.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.872 176.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -62.98 -38.85 92.78 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 120.85 0.357 . . . . 0.0 111.083 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -60.03 -40.86 90.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.643 176.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 81.6 t80 . . . . . 0 C--O 1.215 -0.75 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.713 175.888 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.6 p . . . . . 0 N--CA 1.441 -0.902 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.05 -32.42 69.75 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.737 0.303 . . . . 0.0 110.997 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -79.67 -38.8 32.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.657 -176.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -67.62 -41.37 84.04 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 175.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.445 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 49.9 t80 -68.94 -31.07 69.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.563 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.471 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 24.1 t70 -69.01 -45.03 71.54 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 176.106 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -56.53 -46.0 80.84 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.355 173.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.44 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 62.9 t80 -57.95 -44.05 86.75 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.068 176.178 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.471 ' CE ' ' HA ' ' A' ' 27' ' ' ASP . 57.1 mtmt -62.66 -49.93 73.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.498 0.189 . . . . 0.0 111.075 178.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -59.02 -42.43 90.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.17 0.51 . . . . 0.0 110.351 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.517 ' O ' ' HD2' ' A' ' 36' ' ' ARG . 78.7 mtt180 -63.15 -51.36 66.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.991 175.459 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.522 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 41.0 ttt180 -62.64 -38.64 91.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.422 -176.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.32 -41.51 97.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.917 0.389 . . . . 0.0 110.066 176.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.9 t -63.05 -34.48 77.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.541 178.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.524 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 1.1 mpt_? -85.65 12.74 8.18 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.484 179.153 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.58 28.39 73.56 Favored Glycine 0 CA--C 1.517 0.16 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.675 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.06 -18.24 46.02 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.251 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -83.5 57.8 4.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.365 0.602 . . . . 0.0 110.587 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.524 ' HB2' ' HB2' ' A' ' 36' ' ' ARG . 18.0 t80 -139.37 102.29 4.45 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.359 -178.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.15 165.63 20.36 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.077 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.44 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -66.67 -34.1 67.81 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.096 -176.577 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -63.09 -36.06 82.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.592 0.234 . . . . 0.0 110.736 -176.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.418 ' OD1' ' HE1' ' A' ' 40' ' ' TYR . 4.0 t70 -64.84 -34.87 79.39 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.885 -0.784 . . . . 0.0 108.885 176.504 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.406 ' HA ' ' OH ' ' A' ' 40' ' ' TYR . 87.3 t80 . . . . . 0 C--O 1.222 -0.366 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.482 174.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.8 p . . . . . 0 N--CA 1.442 -0.853 0 N-CA-C 110.475 -0.195 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -58.37 -37.65 75.65 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 121.094 -0.242 . . . . 0.0 111.583 -176.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -65.59 -52.72 50.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.712 0.292 . . . . 0.0 110.987 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -59.8 -46.67 88.49 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.247 0.546 . . . . 0.0 110.027 178.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.475 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 51.6 t80 -65.2 -28.56 69.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.867 -178.054 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.426 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 27.8 t70 -73.68 -41.0 63.25 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -64.04 -37.3 86.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.551 0.691 . . . . 0.0 109.237 173.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.404 ' HB3' ' HA ' ' A' ' 26' ' ' TYR . 19.4 t80 -64.05 -46.99 81.91 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.836 -1.074 . . . . 0.0 110.833 175.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 57.3 mtmt -59.51 -46.72 88.0 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 121.1 0.476 . . . . 0.0 109.784 175.376 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -53.09 -54.38 36.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.653 176.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.415 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 91.4 mtt180 -63.33 -37.67 88.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.503 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.59 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 19.9 ttt180 -72.67 -31.38 65.03 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.418 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -64.34 -41.09 96.96 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 174.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.1 m -60.82 -18.45 55.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.582 177.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.5 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 7.0 mpt_? -108.91 9.2 26.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.309 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.21 32.45 80.68 Favored Glycine 0 C--N 1.329 0.165 0 C-N-CA 121.1 -0.571 . . . . 0.0 112.483 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.19 -19.75 52.64 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.254 -178.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -79.67 55.97 2.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.314 0.578 . . . . 0.0 111.028 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.59 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 18.9 t80 -147.46 102.05 3.42 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -178.118 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.48 172.45 10.99 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.211 -178.205 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.5 tp -60.89 -33.5 55.77 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.156 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.75 -39.92 94.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.658 0.266 . . . . 0.0 111.111 -178.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.43 -38.31 83.67 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.45 0.643 . . . . 0.0 109.316 175.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.401 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 93.0 t80 . . . . . 0 C--O 1.215 -0.717 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.453 176.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.5 p . . . . . 0 N--CA 1.443 -0.81 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -56.89 -39.2 73.95 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.513 0.197 . . . . 0.0 111.19 -177.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -68.09 -40.9 82.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.653 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -64.25 -47.86 78.02 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.333 0.587 . . . . 0.0 109.764 176.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.591 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 70.0 t80 -64.33 -37.92 89.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.866 -177.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.509 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 36.2 t70 -62.97 -43.93 97.44 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.21 178.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -62.05 -44.63 96.27 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.552 0.691 . . . . 0.0 109.709 176.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -57.31 -42.08 81.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.165 176.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.591 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 50.3 mtmt -61.76 -50.59 71.78 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 120.857 0.361 . . . . 0.0 110.238 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -55.25 -45.75 76.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.516 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.56 ' O ' ' HD2' ' A' ' 36' ' ' ARG . 98.7 mtt180 -64.29 -44.96 90.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.113 178.032 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.581 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 13.4 ttt180 -63.9 -41.79 97.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -62.91 -39.41 94.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.917 0.389 . . . . 0.0 110.276 175.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.0 t -61.84 -28.28 69.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.578 177.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.59 ' HD3' ' CD1' ' A' ' 40' ' ' TYR . 2.1 mpt_? -94.81 16.55 15.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 177.239 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.29 25.79 71.35 Favored Glycine 0 C--N 1.333 0.397 0 C-N-CA 121.376 -0.44 . . . . 0.0 112.874 177.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.96 -15.28 62.21 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.07 -178.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -86.93 69.68 10.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.101 0.476 . . . . 0.0 110.378 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.59 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 13.9 t80 -152.87 107.04 3.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.824 -177.499 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.89 165.92 21.37 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.489 -0.485 . . . . 0.0 110.657 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -64.58 -33.41 62.93 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.004 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.937 176.634 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.79 -37.42 86.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.978 0.418 . . . . 0.0 110.311 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -65.14 -33.89 77.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.708 175.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 84.9 t80 . . . . . 0 C--O 1.218 -0.59 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.284 174.035 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.4 p . . . . . 0 N--CA 1.443 -0.812 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -56.87 -38.72 73.12 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.619 0.247 . . . . 0.0 111.017 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -69.26 -46.56 66.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 -178.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -59.75 -48.5 81.42 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.431 0.634 . . . . 0.0 109.971 176.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.587 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 60.3 t80 -63.71 -33.34 75.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.708 -177.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.465 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 33.4 t70 -69.82 -42.73 73.25 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.332 178.447 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -60.92 -40.76 94.41 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 174.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -60.72 -47.47 86.14 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.867 175.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.587 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 58.4 mtmt -59.93 -48.01 83.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.207 0.527 . . . . 0.0 109.776 176.381 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -52.31 -48.03 65.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.764 176.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -69.52 -39.92 77.25 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.644 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.605 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 14.8 ttt180 -67.89 -40.33 83.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.08 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -62.24 -37.2 84.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.948 0.404 . . . . 0.0 109.997 175.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.0 t -66.13 -22.29 66.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.728 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.552 ' HD3' ' CD1' ' A' ' 40' ' ' TYR . 5.7 mpt_? -99.19 12.2 36.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.846 0.355 . . . . 0.0 110.721 176.58 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.61 26.0 73.81 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 121.132 -0.556 . . . . 0.0 112.842 178.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.97 -9.6 76.25 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.43 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.0 68.96 4.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.477 0.656 . . . . 0.0 109.992 178.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.605 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 20.1 t80 -152.48 101.44 2.66 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.025 -177.191 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.59 168.45 19.76 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.191 -177.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.33 -32.55 56.9 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.897 0 C-N-CA 120.306 -0.558 . . . . 0.0 109.882 177.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.34 -35.91 82.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.65 0.262 . . . . 0.0 110.953 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -63.31 -32.77 74.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.396 0.617 . . . . 0.0 109.444 174.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 90.3 t80 . . . . . 0 C--O 1.216 -0.697 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.543 175.432 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.4 p . . . . . 0 N--CA 1.444 -0.748 0 N-CA-C 110.584 -0.154 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -58.24 -36.76 73.68 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.205 -176.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.5 -43.7 72.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.755 -0.202 . . . . 0.0 111.265 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -63.19 -45.34 92.2 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.106 0.479 . . . . 0.0 109.828 177.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.515 ' CE2' ' HD2' ' A' ' 30' ' ' LYS . 62.6 t80 -67.39 -40.55 85.68 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.522 -178.246 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.475 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 24.3 t70 -61.43 -45.73 93.06 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.012 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -59.75 -49.47 77.61 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.886 176.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.406 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 11.9 t80 -49.69 -46.74 50.32 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.191 174.392 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.515 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 21.6 mtpp -61.43 -46.46 90.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.288 178.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -63.62 -40.13 96.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.415 0.626 . . . . 0.0 110.394 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -67.77 -39.5 84.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.635 177.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.592 ' HA ' ' HB3' ' A' ' 40' ' ' TYR . 30.5 ttt180 -67.38 -35.57 79.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.387 176.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -61.06 -40.04 92.15 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.078 176.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.9 m -66.8 -18.09 65.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.401 179.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.538 ' HD3' ' CD1' ' A' ' 40' ' ' TYR . 4.8 mpt_? -102.79 11.67 37.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.636 177.039 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.32 30.91 77.49 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.405 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.34 -21.62 39.51 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.425 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -79.53 61.93 3.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.201 0.524 . . . . 0.0 111.403 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.592 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . 25.1 t80 -154.59 94.92 1.73 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.523 -0.762 . . . . 0.0 108.967 -175.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.4 p -76.8 174.31 10.65 Favored 'General case' 0 CA--C 1.492 -1.275 0 C-N-CA 119.3 -0.96 . . . . 0.0 111.093 -176.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.406 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . 5.1 tp -59.43 -35.47 58.84 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.784 0 CA-C-N 114.563 -1.199 . . . . 0.0 109.571 177.01 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -66.33 -39.56 89.34 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.271 -178.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -60.78 -33.38 72.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.402 0.62 . . . . 0.0 109.434 177.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 89.6 t80 . . . . . 0 C--O 1.214 -0.782 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.243 175.104 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.3 p . . . . . 0 N--CA 1.445 -0.724 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -55.71 -41.87 74.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.486 0.184 . . . . 0.0 111.209 -175.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -62.19 -47.69 83.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.412 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -61.05 -47.8 84.72 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.401 0.62 . . . . 0.0 109.893 178.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.518 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 67.7 t80 -63.68 -31.23 72.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.59 -178.544 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.474 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 25.4 t70 -67.45 -45.84 74.83 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.179 177.39 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -60.85 -41.81 96.6 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 175.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -57.28 -44.77 84.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.159 175.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 57.7 mtmt -61.6 -47.83 83.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.033 0.444 . . . . 0.0 110.739 178.427 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -60.12 -37.84 81.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.676 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -72.87 -37.53 67.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.126 177.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.577 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 35.5 ttt180 -69.97 -36.11 74.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.671 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -60.02 -43.8 95.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.033 173.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.0 t -58.33 -32.34 68.41 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.208 178.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.593 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 9.0 mpt_? -91.58 8.4 36.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.175 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.28 29.01 73.81 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 121.202 -0.523 . . . . 0.0 112.471 179.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.38 -27.72 16.07 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.18 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -81.81 70.38 8.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.396 0.617 . . . . 0.0 110.72 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.593 ' HB2' ' HB2' ' A' ' 36' ' ' ARG . 30.6 t80 -146.81 108.03 4.23 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.478 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.42 173.13 12.31 Favored 'General case' 0 CA--C 1.499 -0.997 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.569 178.611 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -71.82 -27.09 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.507 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.082 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.94 -35.16 77.95 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.637 -176.529 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.461 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 5.9 t70 -69.14 -34.37 74.91 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 177.603 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 91.4 t80 . . . . . 0 C--O 1.213 -0.845 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.237 173.459 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.8 p . . . . . 0 N--CA 1.444 -0.753 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.23 -34.04 70.0 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.415 -176.367 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -65.74 -52.4 51.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 111.055 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -62.66 -43.58 98.46 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.334 0.588 . . . . 0.0 110.34 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.52 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 55.6 t80 -67.29 -29.15 68.66 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.367 -179.398 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.446 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 36.8 t70 -69.51 -45.77 68.13 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 177.271 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.452 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 18.3 tp10 -58.94 -43.95 91.3 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 175.13 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -56.49 -44.68 80.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.018 174.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 56.9 mtmt -62.77 -46.55 87.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.527 0.203 . . . . 0.0 111.018 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.452 ' HE2' ' HA ' ' A' ' 28' ' ' GLU . 43.8 mtmt -60.3 -45.81 92.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.214 0.53 . . . . 0.0 110.202 177.51 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.408 ' O ' ' HB3' ' A' ' 35' ' ' SER . 77.6 mtt180 -60.98 -40.67 94.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.143 177.342 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.563 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 20.2 ttt180 -70.2 -33.04 71.21 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.411 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -64.21 -39.69 94.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.235 0.541 . . . . 0.0 109.694 171.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.408 ' HB3' ' O ' ' A' ' 32' ' ' ARG . 32.3 t -61.14 -23.78 65.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.741 178.514 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.557 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 9.5 mpt_? -104.34 10.59 35.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.263 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.53 30.56 74.85 Favored Glycine 0 CA--C 1.518 0.227 0 C-N-CA 121.079 -0.582 . . . . 0.0 112.509 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.57 -25.18 28.98 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.633 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.89 65.37 7.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.336 0.588 . . . . 0.0 110.972 -178.08 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.563 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 35.7 t80 -145.96 109.87 4.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.045 -179.263 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.48 164.52 16.11 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.134 -179.318 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' A' ' 42' ' ' ILE . 3.1 tp -62.96 -29.57 47.49 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.419 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.85 -42.3 97.61 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.317 0.103 . . . . 0.0 111.118 -177.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.429 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 7.8 t70 -61.06 -37.27 82.05 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 178.503 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 92.0 t80 . . . . . 0 N--CA 1.448 -0.525 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.194 174.036 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 45.9 p . . . . . 0 N--CA 1.441 -0.918 0 N-CA-C 110.21 -0.292 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -51.16 -42.38 60.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 123.242 0.339 . . . . 0.0 111.79 -173.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -63.09 -47.55 82.39 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 111.697 0.258 . . . . 0.0 111.697 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -63.63 -42.7 98.14 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 121.184 0.516 . . . . 0.0 109.974 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.659 ' CE2' ' HD2' ' A' ' 30' ' ' LYS . 74.6 t80 -66.83 -39.23 87.58 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.43 -179.189 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.531 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 23.1 t70 -59.41 -47.15 86.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.151 0.5 . . . . 0.0 110.217 175.299 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.5 ' HA ' ' CE ' ' A' ' 31' ' ' LYS . 41.1 tt0 -61.28 -44.79 96.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.66 178.06 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.469 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 37.2 t80 -55.08 -45.94 75.42 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.924 -1.034 . . . . 0.0 111.088 174.659 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.659 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 22.3 mtpp -61.26 -48.25 82.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.934 178.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.5 ' CE ' ' HA ' ' A' ' 28' ' ' GLU . 52.7 mtmt -59.08 -45.02 91.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.177 0.513 . . . . 0.0 110.275 177.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.467 ' O ' ' HD2' ' A' ' 36' ' ' ARG . 84.9 mtt180 -61.19 -48.78 79.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.15 176.528 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.557 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 33.8 ttt180 -62.44 -37.38 85.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.691 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.63 -45.69 91.22 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.049 174.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 70.9 m -63.91 -29.47 70.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.887 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.498 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 3.4 mpt_? -88.44 14.59 9.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 111.011 177.296 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.34 27.89 72.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.466 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.46 -23.24 33.02 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 121.178 -0.534 . . . . 0.0 112.056 -178.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.93 71.32 10.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.335 0.588 . . . . 0.0 110.833 -177.544 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.557 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 21.9 t80 -152.45 99.05 2.45 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.45 169.07 18.94 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.987 -178.035 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.469 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . 5.6 tp -62.52 -37.43 78.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 177.636 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -62.49 -37.8 87.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.258 -177.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -57.88 -43.35 85.97 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.364 0.602 . . . . 0.0 109.469 175.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 82.7 t80 . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.573 177.268 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.1 p . . . . . 0 N--CA 1.442 -0.871 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -54.64 -39.77 68.33 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.413 0.149 . . . . 0.0 111.265 -174.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.61 -50.36 72.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.356 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -61.74 -45.68 92.87 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.24 0.543 . . . . 0.0 110.191 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.581 ' CE2' ' HD2' ' A' ' 30' ' ' LYS . 75.3 t80 -63.82 -37.18 86.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.515 -178.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.543 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 33.6 t70 -60.64 -45.36 94.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.455 176.598 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -62.13 -45.46 93.36 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.663 177.13 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.402 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 38.3 t80 -55.24 -44.44 75.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.111 176.116 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.581 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 22.9 mtpp -60.13 -49.29 78.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.74 177.796 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -56.89 -44.01 81.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.44 0.638 . . . . 0.0 110.322 178.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -68.93 -42.33 76.91 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.361 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.568 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 39.4 ttt180 -65.4 -37.76 87.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.844 179.048 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -61.93 -42.78 99.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.047 0.451 . . . . 0.0 110.139 175.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.7 t -60.69 -38.69 85.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.998 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.547 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 3.5 mpt_? -81.37 4.07 22.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.797 0.332 . . . . 0.0 111.331 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.42 31.65 63.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.551 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.32 -17.57 42.38 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.189 -0.529 . . . . 0.0 111.936 -179.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -85.2 63.24 7.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.354 0.597 . . . . 0.0 110.174 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.568 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 16.2 t80 -146.01 103.87 3.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.639 -178.245 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.86 169.28 18.46 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.681 179.02 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.402 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . 3.1 tp -69.11 -34.53 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.117 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -66.78 -34.1 77.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.732 0.301 . . . . 0.0 110.915 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -64.3 -35.36 80.61 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 174.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.498 ' HA ' ' OH ' ' A' ' 40' ' ' TYR . 81.9 t80 . . . . . 0 C--O 1.221 -0.441 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.067 173.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.652 0 N-CA-C 111.888 -0.485 . . . . 0.0 111.888 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.422 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -155.27 146.65 16.78 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 179.426 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 12' ' ' ARG . 2.7 Cg_endo -79.55 63.3 8.71 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.764 2.309 . . . . 0.0 112.26 -178.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.23 98.21 2.35 Favored Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.6 m -59.85 -38.63 77.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.034 0.445 . . . . 0.0 110.888 -178.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -136.01 118.67 16.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.42 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.511 ' HD3' ' N ' ' A' ' 17' ' ' ARG . 0.8 OUTLIER -97.54 174.88 6.44 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.585 -0.446 . . . . 0.0 109.921 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.421 ' O ' ' HB3' ' A' ' 19' ' ' ARG . 3.7 p -140.68 -33.99 0.53 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 178.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.421 ' HB3' ' O ' ' A' ' 18' ' ' THR . 54.5 ttt180 70.03 -56.03 0.59 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.423 0.689 . . . . 0.0 111.005 -174.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.07 56.87 0.03 OUTLIER Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 110.148 -1.181 . . . . 0.0 110.148 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.631 ' HG ' ' HB2' ' A' ' 25' ' ' GLU . 1.2 mp -93.93 117.43 30.09 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 121.264 0.554 . . . . 0.0 110.971 -175.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.3 p -80.98 175.53 10.61 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.803 175.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -51.22 -41.74 60.49 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.665 0.269 . . . . 0.0 111.46 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -66.6 -49.62 65.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.969 -176.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.631 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 13.3 mm-40 -65.35 -36.43 84.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.105 0.478 . . . . 0.0 109.844 179.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.579 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 68.2 t80 -71.0 -36.84 72.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.534 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.42 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 11.8 t70 -66.64 -42.2 87.1 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -59.25 -45.32 91.49 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.435 173.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -58.81 -43.53 90.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.191 176.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.579 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 53.0 mtmt -61.34 -46.93 88.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.783 0.325 . . . . 0.0 110.3 178.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -57.86 -47.76 81.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.4 0.619 . . . . 0.0 110.686 176.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.411 ' O ' ' HB3' ' A' ' 35' ' ' SER . 83.7 mtt180 -65.73 -34.01 77.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.196 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.58 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 22.6 ttt180 -73.3 -37.38 66.22 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 177.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.69 -37.35 86.1 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.411 ' HB3' ' O ' ' A' ' 32' ' ' ARG . 44.7 t -58.06 -30.7 66.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.808 175.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.581 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 8.4 mpt_? -97.45 13.42 29.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.349 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.61 27.3 70.75 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.755 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.9 -12.81 69.11 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.397 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -87.57 60.12 5.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.293 0.568 . . . . 0.0 110.492 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.581 ' HB2' ' HB2' ' A' ' 36' ' ' ARG . 14.5 t80 -145.17 98.22 3.13 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.081 -178.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.62 168.22 19.14 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.236 -0.585 . . . . 0.0 109.911 -176.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.61 HD11 HD22 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -62.06 -33.75 59.92 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.917 0 C-N-CA 120.109 -0.636 . . . . 0.0 110.113 -178.77 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.405 ' HB2' HH21 ' A' ' 17' ' ' ARG . 35.4 t70 -66.98 -32.79 74.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.694 0.283 . . . . 0.0 110.779 -177.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -65.04 -39.99 94.15 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 173.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.412 ' CE2' HD21 ' A' ' 21' ' ' LEU . 86.6 t80 -69.5 -45.58 68.59 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.568 175.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 95.2 mt -62.28 -33.14 74.08 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 122.948 0.499 . . . . 0.0 110.73 -178.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.44 ' O ' ' HB2' ' A' ' 50' ' ' GLU . . . -64.84 -46.76 80.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.892 175.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -79.33 -18.36 52.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.295 0.569 . . . . 0.0 109.742 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.431 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 54.1 ttt85 -68.19 -38.56 82.14 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 173.046 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 51.3 mm-40 -60.17 -17.83 43.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.463 172.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.627 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 2.1 mmp_? -90.29 -52.65 4.82 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.914 174.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -50.0 -41.02 46.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.327 -176.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 49' ' ' ARG . 31.5 mt-10 -70.97 -34.53 71.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.048 0.451 . . . . 0.0 110.718 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -71.09 -32.4 69.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.828 0.823 . . . . 0.0 109.812 175.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.627 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 56.0 mt -90.12 -4.8 57.1 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.693 -1.14 . . . . 0.0 110.308 -176.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.8 tp -77.22 -24.16 51.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.176 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -134.93 161.2 35.94 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.515 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.446 ' N ' ' HD2' ' A' ' 58' ' ' ARG . 6.5 mpt_? 68.04 165.66 0.24 Allowed 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.557 0.535 . . . . 0.0 111.844 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.516 ' H ' ' HB ' ' A' ' 64' ' ' ILE . 5.2 t70 71.24 -66.48 0.29 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.68 175.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -67.82 -13.54 62.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.257 0.551 . . . . 0.0 111.071 -178.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -79.91 1.17 28.27 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.075 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 74.62 122.98 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.477 0 O-C-N 124.103 0.877 . . . . 0.0 112.275 176.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 71.73 44.36 0.5 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.541 175.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.516 ' HB ' ' H ' ' A' ' 59' ' ' ASP . 5.1 mp -121.67 -31.44 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.315 0.578 . . . . 0.0 110.207 173.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.567 ' CZ ' ' HA ' ' A' ' 69' ' ' PHE . 11.0 p90 -81.11 55.54 2.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.69 0.757 . . . . 0.0 110.982 -178.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 120.31 -159.1 15.28 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.244 -177.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -91.63 -4.97 54.65 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.829 0.347 . . . . 0.0 110.58 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -125.97 -174.77 13.97 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.425 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.567 ' HA ' ' CZ ' ' A' ' 65' ' ' PHE . 42.4 p90 -147.14 29.87 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.977 0.418 . . . . 0.0 110.513 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -56.07 -28.51 53.93 Favored Glycine 0 CA--C 1.518 0.252 0 CA-C-N 115.622 -0.717 . . . . 0.0 113.669 -174.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.9 tp -57.64 -38.85 75.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.812 0.339 . . . . 0.0 111.031 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -126.48 32.44 5.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.122 -178.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.57 132.36 45.37 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.036 178.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.7 p -73.16 80.87 1.28 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.44 0.638 . . . . 0.0 111.157 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -79.78 87.67 5.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.787 179.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -65.95 -48.11 72.43 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.8 t 52.24 67.53 0.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.307 176.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.1 mtm180 -95.0 -8.47 36.76 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.365 0.602 . . . . 0.0 109.896 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -118.2 87.3 2.69 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.748 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -149.23 99.14 2.9 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.488 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -80.26 -22.5 41.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.257 0.551 . . . . 0.0 109.997 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -136.87 80.69 1.83 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.345 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.65 -37.66 87.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.786 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 49.7 mmtm -122.45 123.79 42.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.395 176.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 44.0 tp . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.314 -0.85 . . . . 0.0 110.35 -178.034 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.637 0 N-CA-C 111.858 -0.497 . . . . 0.0 111.858 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 70.05 147.58 0.12 Allowed Pre-proline 0 N--CA 1.467 0.396 0 C-N-CA 123.37 0.668 . . . . 0.0 112.031 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.45 ' O ' ' HD3' ' A' ' 17' ' ' ARG . 85.8 Cg_endo -77.74 46.71 2.11 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.23 2.62 . . . . 0.0 112.604 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.402 ' HA2' ' HB2' ' A' ' 17' ' ' ARG . . . -114.88 8.24 21.62 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 111.393 -0.683 . . . . 0.0 111.393 177.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.8 m -76.75 -38.87 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.893 0.377 . . . . 0.0 111.029 -177.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -120.79 50.74 1.31 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.995 0.902 . . . . 0.0 108.8 176.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.57 ' O ' HG21 ' A' ' 42' ' ' ILE . 6.5 tpt180 -93.01 169.26 10.56 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.285 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.5 p -127.53 148.52 50.33 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.845 0.355 . . . . 0.0 110.308 173.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -127.2 48.5 2.2 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 176.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.35 43.35 88.25 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.238 -174.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.882 HD22 HD11 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -78.09 116.21 18.39 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 120.948 0.404 . . . . 0.0 110.163 -177.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.1 p -70.19 167.56 17.59 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.345 175.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -57.8 -34.02 69.18 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.333 -177.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -64.9 -49.35 70.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.737 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.611 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 24.2 mt-10 -63.9 -40.02 95.53 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.082 0.468 . . . . 0.0 110.151 178.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.585 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 64.0 t80 -67.5 -40.17 85.2 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.25 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.509 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 24.5 t70 -61.64 -45.82 92.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.88 176.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.425 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 33.1 tt0 -57.13 -47.93 79.91 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.563 174.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -53.25 -46.6 69.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.044 176.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.585 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 49.3 mtmt -60.85 -46.71 89.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.344 . . . . 0.0 110.708 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -62.02 -41.82 98.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.418 0.628 . . . . 0.0 110.39 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.521 HH22 ' CG ' ' A' ' 48' ' ' ASP . 38.4 mtp180 -67.33 -38.73 85.35 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.794 178.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.586 ' HA ' ' HB3' ' A' ' 40' ' ' TYR . 15.6 ttt180 -67.6 -39.5 84.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 177.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -61.19 -38.11 85.37 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.911 174.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.8 t -64.26 -23.34 67.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.924 177.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.579 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 5.8 mpt_? -99.38 8.0 45.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.932 178.138 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.15 29.98 75.98 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.417 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.75 -17.55 57.58 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.451 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.15 60.3 6.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.441 0.638 . . . . 0.0 110.508 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.586 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . 20.0 t80 -148.85 105.25 3.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.512 -178.329 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.06 170.08 11.85 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 120.021 -0.671 . . . . 0.0 109.575 178.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.882 HD11 HD22 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -71.27 -26.7 27.36 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.29 0 C-N-CA 119.739 -0.785 . . . . 0.0 110.433 -179.655 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -62.28 -36.49 82.25 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 176.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -63.49 -44.88 93.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.445 173.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -62.0 -47.14 86.12 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.434 176.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 87.4 mt -64.9 -31.92 73.38 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.212 -176.434 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.94 -42.2 85.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.802 176.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.521 ' CG ' HH22 ' A' ' 32' ' ' ARG . 23.3 t70 -77.78 -30.53 51.43 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 176.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.463 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 72.1 ttt-85 -59.93 -43.34 95.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.496 174.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 8.7 mm-40 -51.92 -39.81 59.73 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.658 173.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.577 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 7.6 mtt-85 -75.73 -50.51 15.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.297 -179.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.73 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 32.2 mm-40 -53.93 -46.97 71.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.136 -177.101 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 49' ' ' ARG . 38.4 mt-10 -55.99 -40.65 73.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.911 0.386 . . . . 0.0 110.732 -178.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -68.79 -37.09 79.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.943 176.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 84.8 mt -87.71 -15.68 36.42 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.232 -0.894 . . . . 0.0 112.201 -170.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.73 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 97.4 mt -72.22 -45.14 61.47 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.897 0.38 . . . . 0.0 110.27 176.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.531 ' HA ' HG12 ' A' ' 64' ' ' ILE . 41.0 mt-10 -83.36 68.42 9.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.987 -177.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.542 ' O ' HD13 ' A' ' 64' ' ' ILE . 84.0 mtp180 -133.88 133.5 41.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.28 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -55.31 -32.63 62.62 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 114.988 -1.005 . . . . 0.0 112.323 -177.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -84.42 -8.93 58.81 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -178.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.81 -68.5 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.708 0.289 . . . . 0.0 111.12 -175.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.421 ' C ' HD12 ' A' ' 64' ' ' ILE . 6.3 tt0 -148.65 -151.06 0.37 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.55 -174.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.43 61.57 4.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.188 0.518 . . . . 0.0 111.858 -174.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.542 HD13 ' O ' ' A' ' 58' ' ' ARG . 5.3 mp -96.24 -24.67 4.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.663 0.744 . . . . 0.0 109.56 176.551 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -92.53 7.44 43.21 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.888 -178.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 177.58 -155.82 18.46 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.839 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -87.1 -28.71 22.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.202 0.525 . . . . 0.0 110.27 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -143.94 171.77 25.38 Favored Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -124.11 5.19 8.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.88 0.371 . . . . 0.0 110.79 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -79.52 37.9 2.07 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.242 177.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -97.04 71.87 2.47 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.3 mttm 53.79 53.87 10.71 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.93 -179.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -123.51 143.51 50.13 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.632 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 33.2 p -114.66 135.8 53.75 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.949 0.404 . . . . 0.0 110.493 177.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -105.53 0.56 26.74 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.649 0.738 . . . . 0.0 109.261 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -86.14 77.5 9.58 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.243 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.9 t -128.53 60.95 1.49 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.52 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -114.24 -8.26 12.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.504 -175.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -122.32 16.73 10.6 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.682 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.14 -19.51 47.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.801 -177.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -64.0 -43.22 96.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.708 178.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -93.36 59.53 3.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.362 0.601 . . . . 0.0 110.152 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -130.55 9.05 5.03 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.32 177.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.441 ' N ' ' HD2' ' A' ' 84' ' ' LYS . 3.2 mptp? -118.72 48.05 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.805 -177.39 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.415 ' H ' HD12 ' A' ' 85' ' ' LEU . 4.6 mp . . . . . 0 C--O 1.247 0.952 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.915 -177.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.489 -0.645 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.595 ' HG2' ' OD1' ' A' ' 43' ' ' ASP . 11.3 tpp180 -104.31 139.02 19.7 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.817 0.308 . . . . 0.0 110.9 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 12' ' ' ARG . 7.8 Cg_exo -69.97 79.7 0.99 Allowed 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 123.081 2.521 . . . . 0.0 111.733 173.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.4 98.97 1.41 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.226 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.4 m -64.79 -26.85 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.128 0.489 . . . . 0.0 110.771 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -142.17 124.57 15.66 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 177.003 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.488 ' HA ' HG21 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -95.21 -6.13 42.28 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.529 -174.33 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.456 ' O ' HD13 ' A' ' 21' ' ' LEU . 13.3 p -136.37 -63.76 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.384 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.436 ' HD3' HD22 ' A' ' 46' ' ' LEU . 32.9 ttt180 65.13 42.37 4.11 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.35 0.595 . . . . 0.0 109.84 -178.201 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.01 56.41 22.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.736 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.859 HD22 HD11 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -93.73 115.06 27.48 Favored 'General case' 0 CA--C 1.511 -0.519 0 CA-C-O 120.644 0.259 . . . . 0.0 110.332 176.601 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.4 p -74.05 177.47 5.67 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.283 175.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -66.74 -15.74 63.76 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.853 0.359 . . . . 0.0 110.651 178.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -82.46 -53.67 5.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.438 176.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.566 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 38.0 mm-40 -59.68 -40.38 87.62 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.424 0.63 . . . . 0.0 110.154 178.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.577 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 52.3 t80 -69.4 -34.08 73.97 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.7 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -65.75 -44.2 86.63 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.597 ' HA ' ' CE ' ' A' ' 31' ' ' LYS . 24.0 tp10 -58.11 -42.67 86.22 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.782 174.299 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.425 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 34.7 t80 -59.93 -43.92 94.66 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.223 176.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.577 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 51.2 mtmt -63.01 -48.49 78.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.496 0.189 . . . . 0.0 110.599 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.597 ' CE ' ' HA ' ' A' ' 28' ' ' GLU . 49.2 mtmt -54.96 -46.92 75.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.545 0.688 . . . . 0.0 110.076 177.035 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.523 ' O ' ' HD2' ' A' ' 36' ' ' ARG . 63.9 mtt180 -62.74 -47.68 82.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.413 178.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.517 ' HD2' ' O ' ' A' ' 40' ' ' TYR . 25.0 ttt180 -62.83 -40.42 97.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.891 -178.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -61.28 -40.88 95.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.013 0.435 . . . . 0.0 110.309 176.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.0 t -64.22 -28.44 69.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.715 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.523 ' HD2' ' O ' ' A' ' 32' ' ' ARG . 2.5 mpt_? -89.92 10.19 24.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.007 177.239 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.09 20.71 78.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.699 177.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.86 -7.46 76.85 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.199 -178.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -94.05 67.01 3.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.295 0.569 . . . . 0.0 110.202 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.517 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 20.2 t80 -150.78 101.94 2.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.76 -176.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.27 167.5 21.75 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.454 -179.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.859 HD11 HD22 ' A' ' 21' ' ' LEU . 1.4 tp -66.73 -35.43 74.76 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.136 178.323 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.595 ' OD1' ' HG2' ' A' ' 12' ' ' ARG . 4.2 p-10 -68.46 -28.61 67.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 123.148 0.28 . . . . 0.0 110.578 -177.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -65.97 -36.09 82.38 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 172.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.547 ' CE2' ' HD2' ' A' ' 49' ' ' ARG . 82.5 t80 -74.94 -47.43 29.69 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.572 175.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 88.0 mt -60.94 -28.52 69.03 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.775 -175.346 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.525 ' O ' ' HG2' ' A' ' 51' ' ' ARG . . . -73.58 -40.01 64.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.907 0.384 . . . . 0.0 110.804 177.222 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.497 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 25.0 t70 -77.76 -27.06 50.26 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.428 0.632 . . . . 0.0 109.439 176.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.547 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 36.6 ttt180 -68.7 -38.04 79.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.928 174.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -28.4 68.91 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.672 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 4.8 mmp_? -63.34 -49.13 75.13 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.176 172.016 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.663 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 38.3 mt-10 -55.38 -34.18 64.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.821 -1.082 . . . . 0.0 111.733 -175.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.47 -44.47 84.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.147 0.498 . . . . 0.0 110.719 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -77.14 -27.65 53.97 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.401 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 50.4 mt -85.08 -3.13 58.68 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.621 -176.042 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 97.2 mt -69.99 -59.47 2.89 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 172.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -91.57 95.93 10.2 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.979 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.423 ' O ' HD13 ' A' ' 64' ' ' ILE . 60.0 mtt85 -80.1 91.95 5.58 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.801 -176.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.414 ' HB3' ' HB3' ' A' ' 65' ' ' PHE . 25.1 m-20 -57.49 -36.26 71.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.067 176.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.99 -9.54 55.55 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.151 -0.931 . . . . 0.0 112.112 -178.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.27 -71.16 0.35 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.428 0.156 . . . . 0.0 111.074 -174.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -155.07 -95.63 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.966 -172.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.429 ' HB2' ' HB3' ' A' ' 69' ' ' PHE . . . -113.23 60.54 0.65 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.189 0.518 . . . . 0.0 111.181 -176.015 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.429 ' N ' HD12 ' A' ' 64' ' ' ILE . 4.7 mp -112.27 -33.54 2.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.641 -177.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.414 ' HB3' ' HB3' ' A' ' 59' ' ' ASP . 12.9 p90 -88.23 -4.18 58.75 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.076 -177.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 176.93 -160.63 27.91 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.124 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -88.75 -43.59 11.16 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.755 0.312 . . . . 0.0 111.206 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -76.27 134.5 15.81 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.791 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.429 ' HB3' ' HB2' ' A' ' 63' ' ' ALA . 31.5 p90 -124.68 31.5 5.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.059 0.457 . . . . 0.0 111.31 -177.206 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.59 38.49 2.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.01 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 38.3 tp -90.57 -75.91 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.76 0.314 . . . . 0.0 110.343 -177.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -103.41 -4.61 23.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.96 0.41 . . . . 0.0 110.78 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.17 3.92 9.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.383 176.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 p -73.89 -72.08 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.051 177.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -150.29 65.93 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.992 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -123.75 14.08 9.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.896 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.9 m -66.84 111.45 3.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.492 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.408 ' NE ' ' HA ' ' A' ' 78' ' ' ARG . 4.7 mmp_? -75.27 127.71 33.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.707 -177.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm 59.0 40.35 22.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.265 178.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.59 101.09 12.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.703 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 60.61 68.61 0.74 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.136 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.505 ' HG3' ' HB2' ' A' ' 85' ' ' LEU . 79.3 ttt180 -156.53 90.98 1.2 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.052 176.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.72 -63.16 1.32 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.916 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -123.47 78.81 1.63 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.321 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.505 ' HB2' ' HG3' ' A' ' 82' ' ' ARG . 97.4 mt . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.412 -0.804 . . . . 0.0 109.903 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.637 0 N-CA-C 111.831 -0.508 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.576 ' HG2' ' H ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -155.04 148.64 18.66 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -177.88 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -75.13 3.82 5.34 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.998 2.466 . . . . 0.0 112.158 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.576 ' H ' ' HG2' ' A' ' 12' ' ' ARG . . . -73.85 5.59 23.73 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.802 -0.636 . . . . 0.0 112.814 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.7 m -67.02 -20.39 26.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.472 0.654 . . . . 0.0 110.098 173.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -131.04 55.43 1.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 174.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -84.77 122.46 29.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.165 -174.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 p -62.65 -21.24 65.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.076 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.447 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 70.1 ttt180 65.0 20.51 12.12 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.682 0.753 . . . . 0.0 110.012 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.28 24.55 51.11 Favored Glycine 0 N--CA 1.444 -0.802 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.054 -177.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.805 HD22 HD11 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -57.79 124.37 18.93 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.05 0.452 . . . . 0.0 110.843 178.587 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.0 p -80.58 168.82 18.45 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.921 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -54.42 -39.72 67.6 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 123.002 0.188 . . . . 0.0 111.426 -175.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.19 -38.8 88.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.603 0.24 . . . . 0.0 111.452 -177.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.693 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 27.6 mt-10 -73.01 -46.26 53.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.315 0.579 . . . . 0.0 109.703 177.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.556 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 59.9 t80 -64.91 -33.04 75.08 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.3 -178.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.03 -45.78 76.44 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.761 177.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -57.23 -44.12 83.5 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 174.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' A' ' 26' ' ' TYR . 23.6 t80 -56.7 -45.51 81.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.2 175.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.556 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 54.1 mtmt -61.49 -46.8 88.48 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 120.735 0.303 . . . . 0.0 110.741 178.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -59.14 -44.82 92.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.331 0.586 . . . . 0.0 110.333 177.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.403 ' O ' ' HD2' ' A' ' 36' ' ' ARG . 98.8 mtt180 -65.33 -42.77 92.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.052 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.563 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 15.0 ttt180 -63.0 -39.03 93.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.257 178.138 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -62.73 -37.85 88.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.289 174.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.6 t -69.75 -26.11 64.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.853 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.533 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 5.9 mpt_? -91.75 6.45 45.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.948 176.135 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.49 26.55 73.96 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.83 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.94 -20.95 47.64 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.599 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.19 62.92 7.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.427 0.632 . . . . 0.0 110.671 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.563 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 16.4 t80 -144.33 102.51 3.85 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.522 -179.316 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.81 171.55 13.01 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 120.454 -0.498 . . . . 0.0 109.947 178.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.805 HD11 HD22 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -70.67 -31.15 45.11 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.958 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.46 -177.613 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.89 -37.97 80.91 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.141 -0.224 . . . . 0.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.422 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 4.9 t70 -68.34 -36.59 79.48 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.211 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.569 ' CE2' HD21 ' A' ' 21' ' ' LEU . 78.7 t80 -67.3 -44.06 80.17 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.928 173.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.579 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 92.3 mt -63.45 -34.12 77.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.013 -177.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 50' ' ' GLU . . . -68.14 -40.87 82.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.661 0.267 . . . . 0.0 110.92 177.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.591 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 29.0 t70 -72.01 -37.06 69.87 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.082 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 79.8 ttt-85 -57.85 -40.38 79.98 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.511 176.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 11.5 mm-40 -52.02 -34.02 41.17 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.54 173.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.528 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 27.4 mtt-85 -87.9 -33.52 18.48 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.086 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.702 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 33.9 mt-10 -61.77 -30.66 70.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.167 -174.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -58.1 -37.7 75.04 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.609 0.226 . . . . 0.0 111.609 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 13.0 pt-20 -87.07 -17.88 31.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.298 0.57 . . . . 0.0 110.254 177.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 83.7 mt -90.5 1.17 56.94 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.796 -178.16 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.702 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 94.8 mt -86.15 -3.42 58.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.089 0.471 . . . . 0.0 109.879 175.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.429 ' HA ' HG12 ' A' ' 64' ' ' ILE . 42.8 mt-10 -137.75 88.62 2.34 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.011 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -124.87 -60.93 1.34 Allowed 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 119.659 -0.816 . . . . 0.0 111.366 177.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.4 t70 174.65 -38.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.451 0.643 . . . . 0.0 110.535 -172.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -90.38 -24.96 20.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.73 -170.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.538 ' CD ' ' H ' ' A' ' 61' ' ' GLU . 0.8 OUTLIER -92.44 -26.57 17.94 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -169.216 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.425 ' C ' HD12 ' A' ' 64' ' ' ILE . 8.7 mt-10 -163.67 -168.27 1.61 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.938 0.399 . . . . 0.0 111.21 -177.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.05 67.78 5.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.661 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.429 HG12 ' HA ' ' A' ' 57' ' ' GLU . 5.4 mp -95.71 -19.63 6.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.836 0.827 . . . . 0.0 109.54 175.307 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -95.49 8.49 43.14 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.939 -178.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 173.52 -151.04 12.68 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.32 -178.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -101.6 -3.0 29.16 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.89 0.376 . . . . 0.0 110.882 -177.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -160.71 165.67 35.19 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.993 177.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -130.08 31.61 4.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.137 0.494 . . . . 0.0 109.771 177.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.68 -19.75 60.93 Favored Glycine 0 CA--C 1.518 0.233 0 CA-C-N 115.723 -0.671 . . . . 0.0 113.493 -174.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.3 pp -84.22 0.5 48.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.864 0.332 . . . . 0.0 111.52 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -140.33 152.18 45.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.82 0.343 . . . . 0.0 110.213 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -127.2 97.7 5.02 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.47 HG21 ' HA ' ' A' ' 61' ' ' GLU . 9.4 m -63.31 110.93 2.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.811 -178.26 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -90.93 65.45 5.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.756 -176.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.59 -1.97 25.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.279 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.5 p -124.52 34.91 4.91 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.352 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -53.31 -40.93 65.16 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.845 -173.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -122.41 28.26 7.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.242 0.544 . . . . 0.0 110.183 178.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -108.37 -63.3 1.34 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.865 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -148.78 18.51 1.01 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.059 -177.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 82' ' ' ARG . 7.8 tpp180 -113.9 48.86 1.04 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.416 0.627 . . . . 0.0 109.549 -177.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.73 -30.24 66.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.808 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -92.81 84.26 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.303 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 58.4 tp . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.392 -0.814 . . . . 0.0 109.79 177.93 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 12' ' ' ARG . . . . . . . . 0 N--CA 1.481 1.652 0 N-CA-C 112.045 -0.422 . . . . 0.0 112.045 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.43 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 55.7 mtp180 70.87 147.47 0.12 Allowed Pre-proline 0 N--CA 1.464 0.274 0 C-N-CA 123.212 0.605 . . . . 0.0 111.751 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 12' ' ' ARG . 6.0 Cg_exo -80.0 52.49 4.33 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.805 2.337 . . . . 0.0 112.172 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -124.45 6.99 8.54 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.685 177.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.0 m -77.32 -32.87 19.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.987 0.423 . . . . 0.0 111.209 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -112.85 -64.48 1.3 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.711 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.417 ' O ' HD11 ' A' ' 46' ' ' LEU . 28.9 mmm180 68.54 93.74 0.08 Allowed 'General case' 0 CA--C 1.519 -0.221 0 O-C-N 123.749 0.655 . . . . 0.0 112.034 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.428 ' O ' HD13 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -76.96 -15.98 59.49 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.539 173.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.506 ' CZ ' ' HB3' ' A' ' 46' ' ' LEU . 36.0 ttm180 54.38 41.29 32.06 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 114.268 -1.333 . . . . 0.0 111.935 174.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.5 31.48 76.72 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.731 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.61 HD22 HD11 ' A' ' 42' ' ' ILE . 0.8 OUTLIER -65.4 121.34 14.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.678 0.275 . . . . 0.0 110.321 176.712 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.5 p -81.24 178.25 8.51 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.774 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -58.08 -39.41 78.48 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 121.233 -0.187 . . . . 0.0 111.179 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -69.21 -45.91 68.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.368 -178.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.588 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 5.6 mm-40 -61.47 -44.83 96.4 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.357 0.599 . . . . 0.0 109.619 176.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.582 ' HA ' HD23 ' A' ' 21' ' ' LEU . 59.4 t80 -66.97 -36.76 82.9 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.653 -178.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.485 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 33.5 t70 -64.66 -42.93 95.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.984 0.421 . . . . 0.0 110.254 177.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -61.79 -44.26 97.21 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.22 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -56.83 -44.77 82.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.89 174.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.564 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 56.1 mtmt -59.8 -51.02 71.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.622 0.248 . . . . 0.0 110.632 178.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -54.68 -46.79 74.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.456 0.646 . . . . 0.0 110.594 177.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -67.42 -37.46 83.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.366 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.59 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 17.9 ttt180 -70.24 -39.15 75.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.562 178.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.64 -41.31 94.64 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.5 t -59.89 -36.54 77.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.694 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.601 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 6.5 mpt_? -87.59 12.99 11.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.561 179.295 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.52 34.43 89.1 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.552 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.8 -19.66 19.52 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.23 -0.509 . . . . 0.0 112.21 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -83.73 57.05 3.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.321 0.582 . . . . 0.0 111.241 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.601 ' HB2' ' HB2' ' A' ' 36' ' ' ARG . 16.5 t80 -137.23 102.28 4.77 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.667 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.66 164.55 25.2 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.657 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.624 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -66.21 -31.68 54.71 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.166 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.741 178.08 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -67.45 -29.47 68.95 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.304 -176.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -67.66 -43.97 78.97 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 173.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.466 ' HE2' HD11 ' A' ' 21' ' ' LEU . 90.7 t80 -62.25 -48.89 77.95 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.326 175.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 86.6 mt -63.0 -34.8 78.33 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 123.624 0.769 . . . . 0.0 112.043 -174.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.43 -26.67 61.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.156 0.503 . . . . 0.0 111.125 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.612 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 15.2 t70 -91.1 -31.17 16.35 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 175.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.555 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 33.9 ttt180 -62.32 -36.73 83.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.903 174.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.472 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -58.19 -31.47 67.32 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 177.108 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.674 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 21.0 mtt180 -75.98 -40.03 54.66 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.032 175.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.612 ' HG3' ' O ' ' A' ' 48' ' ' ASP . 40.2 mt-10 -70.73 -20.05 62.68 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.979 -1.009 . . . . 0.0 111.746 -176.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 49' ' ' ARG . 44.8 mt-10 -65.6 -28.69 69.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.284 0.564 . . . . 0.0 109.683 172.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.448 ' HB3' ' O ' ' A' ' 51' ' ' ARG . 13.0 tp10 -79.93 -34.59 38.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.634 174.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 20.5 mt -83.03 -81.16 0.16 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.926 -1.033 . . . . 0.0 110.408 -173.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 92.9 mt 56.47 -85.45 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.347 0.659 . . . . 0.0 112.52 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -95.1 133.1 39.28 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.706 -174.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.42 ' HB3' ' CB ' ' A' ' 61' ' ' GLU . 23.8 mmm180 -83.8 -10.1 58.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.962 -179.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.5 t70 55.22 -92.29 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.779 174.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -85.83 -10.35 55.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.6 -170.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.42 ' CB ' ' HB3' ' A' ' 58' ' ' ARG . 39.2 tt0 -50.12 -35.9 27.57 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.389 0.431 . . . . 0.0 111.757 -177.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -152.12 -81.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 175.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -156.8 82.25 0.95 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.186 177.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.4 HD12 ' N ' ' A' ' 64' ' ' ILE . 4.7 mp -112.77 -32.92 2.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.43 0.633 . . . . 0.0 109.939 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -76.8 147.39 37.25 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.282 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.32 19.54 30.04 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.596 -0.811 . . . . 0.0 111.656 -178.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.4 t70 64.15 84.83 0.14 Allowed 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.095 0.558 . . . . 0.0 111.272 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.66 -158.94 20.34 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.762 -0.653 . . . . 0.0 112.092 178.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -123.7 46.2 2.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.324 0.583 . . . . 0.0 110.65 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.83 -20.21 79.71 Favored Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.316 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 92.0 mt -72.0 175.75 5.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.746 0.308 . . . . 0.0 110.9 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -74.02 154.01 39.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.087 0.47 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.64 88.06 2.76 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.31 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.7 m -76.95 131.31 38.45 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.699 -176.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 62.09 37.99 14.23 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.847 -178.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -72.03 -30.45 65.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.909 177.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.432 ' HB2' ' HB3' ' A' ' 80' ' ' ALA . 11.9 p -87.16 66.03 9.11 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.638 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.8 tpt180 -64.35 -34.32 77.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.281 -175.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -77.63 -14.45 59.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.549 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.432 ' HB3' ' HB2' ' A' ' 77' ' ' SER . . . -87.95 51.79 2.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.163 0.506 . . . . 0.0 110.774 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -81.26 -5.57 57.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.722 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -90.1 140.95 29.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.791 177.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.31 29.75 1.61 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.11 0.481 . . . . 0.0 111.273 -177.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -119.59 22.86 11.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.55 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.9 mp . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.396 -0.811 . . . . 0.0 110.555 -178.826 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.708 0 N-CA-C 112.023 -0.431 . . . . 0.0 112.023 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -77.24 138.63 64.33 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.437 ' O ' ' HD3' ' A' ' 17' ' ' ARG . 55.3 Cg_endo -78.87 71.92 6.73 Favored 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 122.714 2.276 . . . . 0.0 112.097 -179.077 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.1 27.84 2.75 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.67 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.5 m -81.23 -20.08 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.829 0.347 . . . . 0.0 111.624 -175.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -133.03 -71.72 0.52 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.94 -177.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.437 ' HD3' ' O ' ' A' ' 13' ' ' PRO . 28.5 mmm180 50.96 59.13 4.84 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.593 176.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.4 ' H ' ' H ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -151.99 -17.53 0.18 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.556 178.77 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.4 ' H ' ' H ' ' A' ' 18' ' ' THR . 65.0 ttt180 67.31 -69.81 0.13 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.481 0.713 . . . . 0.0 111.289 -179.028 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -171.8 29.76 0.11 Allowed Glycine 0 CA--C 1.502 -0.77 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 176.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.83 HD22 HD11 ' A' ' 42' ' ' ILE . 1.4 mp -63.37 123.77 19.56 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 114.794 -0.703 . . . . 0.0 111.749 -174.143 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.5 p -83.45 176.1 9.32 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.946 173.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -57.88 -34.11 69.43 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.549 0.214 . . . . 0.0 111.197 -177.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 25' ' ' GLU . 9.5 pt-20 -70.81 -45.83 63.92 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.756 -0.202 . . . . 0.0 111.02 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.635 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 21.7 mt-10 -67.82 -41.12 83.55 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.049 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.609 ' HA ' HD23 ' A' ' 21' ' ' LEU . 73.5 t80 -66.85 -36.35 82.13 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.441 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -63.94 -46.11 86.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.213 0.53 . . . . 0.0 109.98 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -62.57 -37.8 87.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.734 177.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 45' ' ' TYR . 15.4 t80 -63.48 -43.07 98.34 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.726 174.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.557 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 50.2 mtmt -60.11 -42.26 94.35 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 177.551 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -62.69 -48.28 79.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.465 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -65.0 -33.46 76.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.975 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.64 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 50.0 ttt180 -74.47 -35.67 63.29 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.366 177.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -63.86 -35.51 80.89 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 173.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.0 t -63.33 -17.19 62.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.884 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.567 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 4.8 mpt_? -112.32 17.65 19.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 178.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.88 15.31 64.53 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.909 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.86 -16.22 54.67 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.05 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -88.8 62.94 6.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.607 0.717 . . . . 0.0 110.815 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.64 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 27.2 t80 -142.18 104.88 4.52 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.999 -1.0 . . . . 0.0 108.616 -177.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.06 166.36 19.82 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.751 -175.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.83 HD11 HD22 ' A' ' 21' ' ' LEU . 1.8 tp -61.74 -33.97 60.11 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.891 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.226 -178.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -63.78 -33.28 75.31 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.951 0.405 . . . . 0.0 110.686 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -70.65 -33.52 71.05 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.564 ' HE2' HD11 ' A' ' 21' ' ' LEU . 83.2 t80 -72.22 -47.55 49.58 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.97 172.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.579 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 91.4 mt -59.52 -33.72 71.71 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.762 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.46 -43.02 98.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 110.95 175.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.605 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 13.0 t70 -73.1 -35.45 66.61 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 176.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -62.09 -37.33 84.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.185 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 13.4 mm-40 -57.26 -37.12 71.86 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.203 173.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.584 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 40.4 mtt180 -72.66 -43.36 63.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.349 177.162 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.636 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 44.0 mt-10 -59.25 -25.26 63.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.053 -0.976 . . . . 0.0 112.56 -175.03 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -50.38 -45.53 55.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.842 0.353 . . . . 0.0 111.5 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -87.47 -21.64 25.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.045 0.45 . . . . 0.0 110.731 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 60.4 mt -79.25 -13.83 59.43 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.004 -174.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 91.3 mt -66.09 -35.82 81.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.043 0.449 . . . . 0.0 110.345 176.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -113.53 0.68 14.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.248 -175.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.401 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 73.2 mtt180 -141.44 -175.95 4.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.572 -175.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 58' ' ' ARG . 32.2 t70 69.14 -81.61 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 O-C-N 123.748 0.655 . . . . 0.0 111.753 176.182 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -74.13 -10.81 59.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.916 0.389 . . . . 0.0 111.242 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -83.68 13.3 4.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.444 -175.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 72.54 116.82 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.261 -0.881 . . . . 0.0 113.219 172.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' A' ' 68' ' ' GLY . . . 63.45 53.8 2.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.112 -0.949 . . . . 0.0 113.08 169.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.6 mp -121.21 -43.62 2.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.676 0.751 . . . . 0.0 109.169 172.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -73.55 153.83 40.09 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.033 176.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 54.24 -126.42 36.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.222 -0.513 . . . . 0.0 112.828 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -122.58 -12.74 8.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.824 0.345 . . . . 0.0 110.854 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 63' ' ' ALA . . . -147.73 -147.71 4.6 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.968 -177.59 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.427 ' HB3' ' N ' ' A' ' 63' ' ' ALA . 53.4 p90 -141.14 175.13 9.88 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 -178.584 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.99 -37.67 2.15 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.87 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.0 tp -53.57 -51.76 61.93 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 122.928 0.491 . . . . 0.0 111.446 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -139.73 49.79 1.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -165.88 158.49 14.99 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.113 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.7 m 70.92 125.21 0.03 OUTLIER 'General case' 0 C--O 1.234 0.245 0 O-C-N 124.049 0.843 . . . . 0.0 112.061 175.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -77.44 49.75 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 110.244 177.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -100.39 -20.76 15.67 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.113 -0.948 . . . . 0.0 109.507 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.6 p -76.11 67.9 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.307 -174.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -112.4 -11.64 13.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.953 0.406 . . . . 0.0 110.379 173.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -138.93 31.45 2.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.238 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -93.51 152.53 19.0 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 -176.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -94.35 65.04 3.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.16 178.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -91.63 58.43 3.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.718 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.85 -50.39 7.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.79 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -91.72 94.27 9.29 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.951 0.405 . . . . 0.0 110.397 -177.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.54 -0.743 . . . . 0.0 110.205 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.644 0 N-CA-C 111.775 -0.53 . . . . 0.0 111.775 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -135.11 153.03 78.08 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -79.38 39.03 0.77 Allowed 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.683 2.255 . . . . 0.0 112.006 177.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -89.82 27.53 8.0 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 121.149 -0.548 . . . . 0.0 112.24 -175.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.5 m -83.37 -21.2 8.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.99 0.424 . . . . 0.0 110.568 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -169.38 82.49 0.13 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.713 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.451 ' O ' HD11 ' A' ' 46' ' ' LEU . 12.9 mmm180 -101.16 104.17 15.25 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.287 0.565 . . . . 0.0 111.303 178.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.4 p -78.22 107.54 10.89 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.398 175.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.486 ' HD3' HD22 ' A' ' 46' ' ' LEU . 81.1 mtp180 -75.26 57.03 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.373 175.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.56 37.17 94.29 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -174.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.669 HD22 HD11 ' A' ' 42' ' ' ILE . 0.8 OUTLIER -65.77 110.19 2.73 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 120.876 0.37 . . . . 0.0 110.524 -178.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.5 p -68.19 -179.15 1.19 Allowed 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.292 176.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -67.81 -15.8 63.8 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 120.79 0.329 . . . . 0.0 110.117 177.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -83.02 -55.92 4.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.355 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.603 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 7.6 mm-40 -57.15 -40.96 78.27 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 121.335 0.588 . . . . 0.0 109.933 178.232 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.524 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 59.0 t80 -69.81 -34.63 73.97 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.929 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.484 ' OD2' ' HE3' ' A' ' 31' ' ' LYS . 36.6 t70 -68.64 -41.61 79.17 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.34 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -58.9 -47.2 85.82 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.424 173.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -56.56 -41.83 77.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.999 176.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 41.7 mtmt -63.96 -46.96 82.31 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.311 -0.156 . . . . 0.0 110.844 178.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.484 ' HE3' ' OD2' ' A' ' 27' ' ' ASP . 94.8 mttt -58.35 -43.45 88.35 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.51 0.672 . . . . 0.0 110.049 178.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -65.03 -48.26 74.48 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.01 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.562 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 19.8 ttt180 -64.2 -32.99 74.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.96 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -63.7 -41.38 98.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.217 0.532 . . . . 0.0 109.84 175.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.5 t -63.55 -32.58 74.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.834 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.583 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 6.9 mpt_? -88.09 6.98 33.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.14 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.48 26.48 73.62 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.712 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.34 -17.77 58.67 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.853 -177.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -84.41 57.73 4.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.423 0.63 . . . . 0.0 110.741 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.583 ' HB2' ' HB2' ' A' ' 36' ' ' ARG . 20.8 t80 -141.66 104.8 4.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.345 -178.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.79 166.7 19.78 Favored 'General case' 0 C--N 1.312 -1.052 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.095 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.696 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 0.7 OUTLIER -66.1 -31.12 52.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.371 -179.634 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -65.77 -37.51 86.54 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.48 0.178 . . . . 0.0 111.48 -176.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.549 ' OD2' ' HE1' ' A' ' 40' ' ' TYR . 5.2 t70 -64.92 -32.48 74.21 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 175.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.463 ' CE2' ' HD2' ' A' ' 49' ' ' ARG . 94.0 t80 -73.28 -43.1 61.63 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.525 174.028 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 92.8 mt -69.49 -31.13 69.21 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 122.828 0.451 . . . . 0.0 111.734 -173.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 50' ' ' GLU . . . -70.58 -40.26 73.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.168 0.509 . . . . 0.0 109.798 174.43 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -71.34 -28.99 64.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.337 175.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.463 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 25.9 ttt-85 -65.73 -33.73 76.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.065 176.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 47' ' ' ALA . 11.9 mm-40 -62.62 -30.51 71.41 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.055 173.284 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.685 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 26.3 mtt180 -79.78 -33.86 40.23 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.894 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.707 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 43.3 mt-10 -53.33 -39.12 63.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.902 -176.421 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -56.31 -48.93 75.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.651 0.262 . . . . 0.0 111.323 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.448 ' O ' HG12 ' A' ' 64' ' ' ILE . 12.0 pt-20 -74.32 -28.9 61.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 0.0 110.608 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 85.4 mt -73.86 -18.17 60.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.149 -177.465 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.707 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 93.0 mt -70.31 -78.13 0.08 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.717 178.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -165.8 46.67 0.08 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.873 0.368 . . . . 0.0 111.542 -176.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.549 ' HA ' ' HE ' ' A' ' 58' ' ' ARG . 1.3 mmp_? -105.02 95.81 6.1 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.574 -0.704 . . . . 0.0 111.245 -177.282 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -73.67 -12.66 60.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.363 -0.835 . . . . 0.0 108.782 174.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -65.1 -26.44 68.21 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.268 173.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -85.4 -71.77 0.51 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.928 -173.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.408 ' C ' HD12 ' A' ' 64' ' ' ILE . 8.0 tt0 -155.99 -154.24 0.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -176.197 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.01 54.97 1.07 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.119 0.485 . . . . 0.0 112.302 -174.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' ' 54' ' ' GLU . 5.3 mp -89.41 -20.63 7.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.962 0.886 . . . . 0.0 108.99 175.319 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -87.25 3.14 47.83 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.543 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.75 -168.82 46.02 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.59 -176.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.8 t70 70.62 -56.59 0.61 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.634 0.774 . . . . 0.0 111.972 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 139.77 154.26 6.27 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -94.26 139.18 31.38 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 117.626 0.713 . . . . 0.0 110.715 -178.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 173.97 32.62 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 177.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.2 pp -171.0 156.07 4.72 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -174.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt 57.96 32.39 21.89 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 123.626 0.579 . . . . 0.0 111.701 177.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.43 -36.49 84.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.321 0.581 . . . . 0.0 109.792 177.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.6 m -84.37 105.52 15.26 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.984 174.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -72.57 98.48 2.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.132 0.491 . . . . 0.0 110.268 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -82.29 55.85 3.02 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.293 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.5 p -78.72 34.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.794 -176.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -80.76 -20.14 43.34 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 176.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -115.34 46.53 1.45 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.689 -1.141 . . . . 0.0 109.215 177.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.35 57.36 3.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.239 -175.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -78.58 -33.92 47.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.931 177.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -98.38 75.49 2.24 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.512 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -132.06 -55.87 0.98 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.975 0.417 . . . . 0.0 110.259 175.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -110.29 87.03 2.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.365 177.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.403 ' N ' HD22 ' A' ' 85' ' ' LEU . 2.7 mm? . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.542 -0.742 . . . . 0.0 109.787 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.881 0 N-CA-C 112.207 -0.357 . . . . 0.0 112.207 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -102.27 158.95 30.77 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -76.48 82.9 2.15 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.747 2.298 . . . . 0.0 112.352 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -88.79 -40.05 6.4 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.328 175.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.5 p -82.48 124.47 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 175.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 58.32 93.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.44 0.638 . . . . 0.0 109.38 -172.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 18' ' ' THR . 16.3 tpt180 -98.17 169.47 9.57 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.362 -174.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.446 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 2.8 p -56.66 115.41 2.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.726 177.125 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -53.13 -53.48 49.82 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.713 175.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -172.79 60.08 0.15 Allowed Glycine 0 CA--C 1.498 -0.989 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.744 HD23 ' HA ' ' A' ' 26' ' ' TYR . 5.5 mp -89.91 114.49 26.3 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.07 0.462 . . . . 0.0 110.476 -178.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.7 p -70.49 173.78 6.57 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 172.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -56.41 -33.04 65.42 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 118.201 0.455 . . . . 0.0 110.374 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -66.86 -54.94 17.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.435 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.542 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 4.1 mm-40 -63.92 -36.06 82.71 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.932 0.396 . . . . 0.0 110.217 -178.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.744 ' HA ' HD23 ' A' ' 21' ' ' LEU . 56.0 t80 -70.66 -33.94 71.49 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.291 178.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -65.66 -45.65 82.13 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 177.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -58.0 -42.87 86.11 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.529 173.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -58.92 -45.47 90.28 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.011 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.542 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 50.4 mtmt -60.68 -48.64 80.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.005 0.431 . . . . 0.0 109.962 176.177 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -56.07 -44.89 79.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.966 177.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -70.32 -38.78 74.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.132 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.556 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 27.7 ttt180 -69.09 -35.83 76.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.408 177.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.67 -40.04 90.63 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.078 175.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -60.98 -34.12 74.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.428 177.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.541 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 7.4 mpt_? -87.84 5.94 37.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.305 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.83 21.7 76.7 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.453 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.19 -19.58 50.89 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.085 -177.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -83.04 61.78 6.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.067 0.46 . . . . 0.0 110.767 -178.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.556 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 22.1 t80 -148.54 103.77 3.44 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.907 -177.128 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.34 167.79 19.1 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.588 0.709 . . . . 0.0 111.163 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.741 HD11 HD22 ' A' ' 21' ' ' LEU . 3.5 tp -67.16 -22.81 29.65 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.036 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.911 178.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -73.79 -33.07 64.06 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.17 -0.212 . . . . 0.0 110.751 -177.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -70.15 -37.49 75.25 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 175.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.4 ' CE1' HD21 ' A' ' 21' ' ' LEU . 59.7 t80 -68.51 -45.69 71.58 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.44 174.346 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.6 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 44.0 mt -65.35 -39.51 92.45 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.901 -176.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.77 -41.04 98.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.838 0.352 . . . . 0.0 110.663 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -73.37 -34.12 65.4 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.601 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 49.8 ttt85 -58.66 -47.03 85.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.801 176.273 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.6 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 76.0 mm-40 -51.29 -39.96 57.96 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.88 176.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.508 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 31.4 mtt180 -77.08 -47.55 20.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.88 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.659 ' O ' ' HB2' ' A' ' 56' ' ' LEU . 30.6 mm-40 -58.76 -30.12 67.29 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.469 -175.027 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.601 ' HG3' ' O ' ' A' ' 49' ' ' ARG . 35.5 mt-10 -66.51 -43.92 83.93 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.122 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -77.3 -21.8 52.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.24 0.543 . . . . 0.0 110.309 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 75.5 mt -90.47 -15.3 31.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.213 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.659 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 10.9 tp -78.21 -43.14 29.27 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 176.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -93.31 -174.62 3.58 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.437 -1.256 . . . . 0.0 108.845 174.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.508 ' O ' HD13 ' A' ' 64' ' ' ILE . 59.1 ttt180 -133.61 101.92 5.3 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.967 0.413 . . . . 0.0 110.787 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.452 ' OD1' ' HB3' ' A' ' 65' ' ' PHE . 68.7 m-20 -58.73 -44.15 90.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.541 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -69.47 -10.32 57.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.656 -176.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -60.49 -56.5 20.59 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -177.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -166.54 -86.89 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.611 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -133.2 81.66 1.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.972 0.415 . . . . 0.0 110.332 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.508 HD13 ' O ' ' A' ' 58' ' ' ARG . 4.3 mp -121.37 -22.24 3.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.82 0.819 . . . . 0.0 109.876 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.452 ' HB3' ' OD1' ' A' ' 59' ' ' ASP . 30.8 p90 -97.17 24.14 6.68 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.562 -177.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.83 76.16 1.28 Allowed Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.712 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.3 t70 59.09 -150.64 0.43 Allowed 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 -176.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.24 17.96 65.72 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.806 176.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -78.4 167.89 20.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.976 0.417 . . . . 0.0 110.894 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 122.77 -96.73 0.56 Allowed Glycine 0 N--CA 1.443 -0.877 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -177.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 87.2 mt 55.39 -108.45 0.44 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.874 0.47 . . . . 0.0 111.854 176.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -72.31 -33.24 67.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.855 -177.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.7 -20.85 62.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.14 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.9 p -100.83 116.82 33.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.676 178.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.81 45.77 2.77 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.436 0.636 . . . . 0.0 110.105 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -91.32 89.45 7.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.29 -178.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.6 m -78.61 78.91 5.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.668 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -83.32 128.21 34.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.496 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm 54.25 36.63 25.56 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.247 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -114.53 79.91 1.33 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.399 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -65.28 123.2 18.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.337 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -144.66 85.26 1.76 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.977 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.77 -50.64 4.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.613 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -120.61 123.34 42.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.192 0.52 . . . . 0.0 111.143 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 77.0 mt . . . . . 0 C--O 1.245 0.834 0 CA-C-O 118.672 -0.68 . . . . 0.0 109.289 172.559 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.659 0 N-CA-C 111.847 -0.501 . . . . 0.0 111.847 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.546 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -131.05 160.64 65.96 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.357 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.546 ' HD2' ' HB2' ' A' ' 12' ' ' ARG . 73.3 Cg_endo -73.76 83.79 1.52 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.966 2.444 . . . . 0.0 112.94 -174.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -143.82 39.07 1.3 Allowed Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.534 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.83 133.41 27.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.632 0.253 . . . . 0.0 110.482 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.1 t80 61.53 45.69 8.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.598 0.713 . . . . 0.0 110.147 -178.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.503 ' O ' HD11 ' A' ' 46' ' ' LEU . 29.5 tpt180 -76.16 104.67 6.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.967 177.446 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -28.83 69.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.676 -177.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 67.43 -71.09 0.11 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.238 0.615 . . . . 0.0 111.392 177.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -165.83 32.21 0.22 Allowed Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.761 HD22 HD11 ' A' ' 42' ' ' ILE . 3.9 mp -71.8 115.79 11.42 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.227 0.537 . . . . 0.0 111.293 -178.298 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.9 p -76.18 179.05 5.95 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.126 173.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -58.46 -34.8 71.27 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.307 178.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.77 -51.71 45.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.005 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.608 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 12.1 mm-40 -61.71 -42.54 99.08 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.24 0.543 . . . . 0.0 110.201 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.652 ' HA ' HD23 ' A' ' 21' ' ' LEU . 57.4 t80 -66.43 -36.55 83.07 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.324 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -64.26 -45.92 86.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.403 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -62.14 -38.51 89.23 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.431 176.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.407 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 41.3 t80 -61.46 -44.23 97.47 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.582 176.004 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.624 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 49.1 mtmt -63.5 -45.47 90.54 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.252 0.549 . . . . 0.0 109.775 176.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -54.78 -45.47 74.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.507 176.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -70.41 -43.08 70.74 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.742 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.556 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 40.8 ttt180 -66.39 -32.76 74.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.466 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -61.17 -40.75 95.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.544 174.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.7 t -63.61 -28.47 69.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.602 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.544 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 7.0 mpt_? -93.73 11.77 27.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.196 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.04 27.87 73.21 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.623 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.27 -14.69 63.97 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.139 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -90.86 72.1 6.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.241 0.543 . . . . 0.0 111.158 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.556 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 33.5 t80 -150.48 105.16 3.29 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.509 -177.24 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.36 163.24 27.66 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.366 0.603 . . . . 0.0 111.016 -178.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.761 HD11 HD22 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -69.25 -31.23 48.96 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.976 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.627 178.539 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -70.22 -28.77 65.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 -177.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -63.69 -44.14 94.54 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 172.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.454 ' CE2' ' HD2' ' A' ' 49' ' ' ARG . 90.0 t80 -66.28 -50.84 62.32 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.983 176.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 94.2 mt -58.54 -37.29 75.36 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 123.651 0.781 . . . . 0.0 112.04 -175.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.04 -38.28 87.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.923 0.392 . . . . 0.0 110.758 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.464 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 29.0 t70 -78.13 -31.87 50.09 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 176.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.454 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 36.4 ttt180 -60.07 -35.7 75.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.841 175.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 14.2 mm-40 -64.08 -25.73 68.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.911 175.163 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.543 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 34.1 mtt180 -89.85 -27.38 19.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.427 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.631 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 39.5 mt-10 -58.7 -21.58 55.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.48 -174.095 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -58.37 -37.71 75.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.463 0.173 . . . . 0.0 111.189 177.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 11.0 pt-20 -87.53 -17.85 31.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.199 0.523 . . . . 0.0 110.381 177.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.46 ' HB2' ' HA ' ' A' ' 52' ' ' GLU . 87.8 mt -84.87 -16.65 40.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.222 -176.01 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 95.2 mt -69.58 -69.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.217 0.532 . . . . 0.0 109.732 175.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -143.38 144.23 31.97 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.958 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.518 ' O ' HD13 ' A' ' 64' ' ' ILE . 50.8 ttp180 -129.04 103.17 6.84 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.255 0.55 . . . . 0.0 110.276 179.619 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -68.69 -5.15 18.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.603 -176.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -90.74 -10.27 43.62 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.94 0.4 . . . . 0.0 110.779 176.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -70.54 -72.77 0.19 Allowed 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.537 -174.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 176.41 -42.23 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.178 0.513 . . . . 0.0 110.021 -177.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.43 ' O ' ' HB ' ' A' ' 64' ' ' ILE . . . -92.14 -160.5 0.74 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.387 174.045 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.518 HD13 ' O ' ' A' ' 58' ' ' ARG . 3.4 mp 78.78 -60.29 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 171.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -77.63 -39.28 45.76 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -172.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.56 -80.17 1.5 Allowed Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.281 -0.961 . . . . 0.0 112.197 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -146.5 -58.93 0.3 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.269 0.556 . . . . 0.0 109.812 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -155.0 -179.0 29.84 Favored Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -82.47 169.11 16.75 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.561 -0.456 . . . . 0.0 109.949 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.55 ' HA2' HG23 ' A' ' 74' ' ' THR . . . 140.53 40.92 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.498 -177.165 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.2 mt -126.21 -58.12 1.37 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -108.06 -24.64 11.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.391 174.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.54 38.13 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.239 0.543 . . . . 0.0 110.647 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.55 HG23 ' HA2' ' A' ' 70' ' ' GLY . 0.4 OUTLIER -132.44 -178.87 5.12 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.769 179.469 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 67.61 16.42 9.86 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.733 0.646 . . . . 0.0 111.351 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 74' ' ' THR . 53.6 mtt180 -113.04 135.92 53.26 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.4 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.6 m -79.39 62.77 3.82 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.127 0.489 . . . . 0.0 111.212 -175.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -73.34 -23.66 60.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.835 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -78.96 -2.54 40.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.079 0.466 . . . . 0.0 110.32 178.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -108.84 12.33 25.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.157 176.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -104.82 23.15 13.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.243 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -121.12 80.13 1.61 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.737 -177.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.95 61.86 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.215 0.531 . . . . 0.0 110.353 178.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -167.52 -48.42 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.471 -177.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.0 mp . . . . . 0 C--O 1.25 1.081 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.184 179.816 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.654 0 N-CA-C 112.366 -0.294 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -152.99 137.33 10.7 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -73.61 71.93 3.83 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.707 2.271 . . . . 0.0 111.979 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.63 -42.41 1.72 Allowed Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 175.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.5 p -55.27 -43.27 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.995 0.426 . . . . 0.0 110.733 175.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -128.85 99.07 5.17 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 174.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -81.91 -66.38 0.9 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.057 -175.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 p -142.21 164.91 28.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.085 0.469 . . . . 0.0 111.691 -177.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -113.14 65.71 0.65 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 173.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 55.27 48.05 71.28 Favored Glycine 0 CA--C 1.507 -0.414 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.844 -176.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.714 HD22 HD11 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -81.82 115.64 21.13 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 120.89 0.376 . . . . 0.0 110.51 -176.801 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.7 p -73.25 176.79 5.61 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.461 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -58.56 -38.25 77.43 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 120.512 0.196 . . . . 0.0 111.321 -176.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -69.7 -47.52 62.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.559 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.576 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 7.5 mm-40 -62.48 -40.94 98.29 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 121.23 0.538 . . . . 0.0 109.733 179.028 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.582 ' CE2' ' HD2' ' A' ' 30' ' ' LYS . 62.1 t80 -69.06 -39.92 78.84 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.713 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.507 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 25.5 t70 -58.93 -46.58 87.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.19 0.519 . . . . 0.0 109.933 176.095 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -60.47 -47.49 85.88 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.935 177.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.46 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 45.6 t80 -54.4 -43.82 71.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.1 176.372 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.582 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 21.7 mtpp -62.09 -51.35 68.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.872 178.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -58.01 -37.98 75.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.282 0.563 . . . . 0.0 110.528 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -68.87 -48.69 62.79 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.095 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.528 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 21.3 ttt180 -64.51 -35.83 82.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.636 -178.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.52 -40.0 93.07 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.104 175.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.8 t -66.59 -30.03 70.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.778 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.518 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 6.3 mpt_? -89.93 8.2 33.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.288 178.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.75 29.11 74.22 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.536 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.39 -23.3 34.33 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.492 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.0 mttt -83.25 63.52 7.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.431 0.634 . . . . 0.0 110.902 -178.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.528 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 26.5 t80 -146.48 96.75 2.82 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.208 -0.906 . . . . 0.0 108.967 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.31 167.26 21.99 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.25 -177.179 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.714 HD11 HD22 ' A' ' 21' ' ' LEU . 3.0 tp -62.76 -34.42 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.607 177.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -62.75 -40.41 97.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.196 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -59.39 -32.04 69.79 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.429 0.633 . . . . 0.0 109.613 176.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.42 ' CE2' ' HD2' ' A' ' 49' ' ' ARG . 86.2 t80 -82.98 -41.43 18.77 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.013 176.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 82.3 mt -66.63 -32.92 74.55 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -173.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.98 -36.61 75.33 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.146 0.498 . . . . 0.0 110.105 175.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -75.09 -29.05 60.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.25 175.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.42 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 31.2 ttt180 -68.2 -37.12 80.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.642 177.019 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.619 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 78.2 mm-40 -52.94 -39.66 63.06 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.436 172.141 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.444 ' O ' HD13 ' A' ' 55' ' ' LEU . 25.5 mtt180 -72.83 -46.48 52.79 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.963 178.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.731 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 62.5 mm-40 -57.0 -36.5 70.46 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.469 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -59.81 -39.77 86.11 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.498 0.184 . . . . 0.0 111.498 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -87.03 -17.48 32.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.146 0.498 . . . . 0.0 110.769 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' ' 51' ' ' ARG . 9.3 mp -86.28 -5.75 59.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.18 176.483 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.731 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 80.6 mt -81.22 -176.03 5.76 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.669 173.527 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 50.94 41.98 27.68 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 121.366 0.603 . . . . 0.0 109.836 -171.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -101.81 -57.73 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.352 -173.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -155.6 -66.2 0.12 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.494 -170.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -70.29 -14.52 62.63 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -174.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -74.9 -57.4 3.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.733 0.301 . . . . 0.0 111.541 -175.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -154.52 -163.32 1.57 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 -174.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.529 ' HB2' ' CD1' ' A' ' 69' ' ' PHE . . . -83.03 65.77 8.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.944 0.402 . . . . 0.0 111.618 -174.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.0 mp -95.63 -25.41 4.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.624 0.726 . . . . 0.0 109.513 176.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -97.09 19.57 12.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.056 -179.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.84 -175.5 21.56 Favored Glycine 0 N--CA 1.444 -0.808 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -173.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -75.82 156.99 33.93 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.975 0.388 . . . . 0.0 110.577 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.37 50.45 0.76 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.933 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.529 ' CD1' ' HB2' ' A' ' 63' ' ' ALA . 24.3 p90 -109.42 -176.51 3.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.83 0.348 . . . . 0.0 111.028 -175.195 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.22 30.89 44.3 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.067 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.8 mt -66.73 -58.41 5.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.667 0.27 . . . . 0.0 111.16 -177.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -117.24 -26.25 6.82 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.293 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.89 -71.58 0.43 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.891 0.377 . . . . 0.0 111.224 -177.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.5 m -81.56 76.52 8.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.959 0.409 . . . . 0.0 110.849 -178.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -76.45 86.95 3.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.087 0.47 . . . . 0.0 110.63 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -128.15 37.07 4.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.582 0.706 . . . . 0.0 109.74 177.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.3 p -93.5 -4.93 50.23 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.281 -175.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 72.37 -68.0 0.24 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.266 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -135.88 81.26 1.88 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.972 0.415 . . . . 0.0 110.425 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -127.5 65.66 1.33 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.246 0.546 . . . . 0.0 110.263 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -71.95 -32.94 67.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.214 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -88.7 22.92 2.45 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.936 -176.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.78 -2.43 56.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.152 0.501 . . . . 0.0 109.979 178.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.554 ' O ' ' HD3' ' A' ' 84' ' ' LYS . 11.1 tmtt? -60.41 -37.79 81.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.27 174.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.449 -179.668 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 112.106 -0.397 . . . . 0.0 112.106 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -88.74 150.62 46.27 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.426 ' O ' ' HD3' ' A' ' 17' ' ' ARG . 57.4 Cg_endo -78.54 87.1 1.58 Allowed 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.489 2.126 . . . . 0.0 111.448 177.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.82 4.73 53.35 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.36 -177.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 p -72.89 138.38 21.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 177.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.6 t80 68.28 -83.25 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.706 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.426 ' HD3' ' O ' ' A' ' 13' ' ' PRO . 45.4 mmm-85 39.82 65.53 0.71 Allowed 'General case' 0 N--CA 1.469 0.481 0 O-C-N 123.858 0.724 . . . . 0.0 111.919 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -153.36 171.03 19.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.926 -178.422 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.447 ' HB3' HD22 ' A' ' 46' ' ' LEU . 42.6 ttm180 -150.23 66.09 0.96 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 178.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.72 32.84 84.98 Favored Glycine 0 CA--C 1.503 -0.683 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.644 -176.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.84 HD22 HD11 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -75.95 117.51 17.75 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-O 121.298 0.57 . . . . 0.0 110.567 -176.441 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.4 p -74.69 171.41 13.95 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.039 173.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -55.79 -39.61 71.54 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 120.559 0.218 . . . . 0.0 111.018 -178.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -69.27 -40.87 77.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.751 -177.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.615 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 29.7 mt-10 -66.46 -43.29 85.9 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 176.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.569 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 61.8 t80 -67.44 -37.85 83.62 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.666 -178.341 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -63.27 -45.89 89.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.015 0.436 . . . . 0.0 109.979 176.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.432 ' HA ' ' CE ' ' A' ' 31' ' ' LYS . 53.8 tt0 -58.17 -43.78 87.65 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.472 175.142 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -57.95 -46.49 85.01 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.216 176.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.569 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 47.8 mtmt -60.08 -49.11 78.94 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 120.555 0.217 . . . . 0.0 110.961 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.432 ' CE ' ' HA ' ' A' ' 28' ' ' GLU . 40.5 mtmt -60.12 -41.24 92.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.597 178.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -64.17 -45.07 90.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.903 176.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.549 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 54.7 ttt180 -64.58 -34.18 77.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.484 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -64.58 -39.78 94.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.3 175.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.9 m -64.46 -21.39 66.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.064 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.52 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 3.0 mpt_? -100.75 9.22 42.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.843 178.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.67 30.21 77.32 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.611 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.6 -21.63 40.01 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.163 -178.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -80.03 63.44 4.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.936 0.398 . . . . 0.0 110.757 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.549 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 23.6 t80 -149.98 101.52 3.03 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 -177.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.5 163.9 26.48 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.385 -177.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.84 HD11 HD22 ' A' ' 21' ' ' LEU . 2.5 tp -60.42 -35.5 63.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.872 176.26 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -62.98 -38.85 92.78 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 120.85 0.357 . . . . 0.0 111.083 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -60.03 -40.86 90.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.643 176.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.402 ' O ' ' N ' ' A' ' 49' ' ' ARG . 81.6 t80 -72.03 -43.99 64.1 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.713 175.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.712 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 72.8 mt -59.99 -37.48 79.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.644 -174.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.95 -47.55 79.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.047 0.451 . . . . 0.0 110.324 174.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.62 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -65.03 -31.2 72.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.326 175.919 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.542 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 75.7 ttt-85 -65.04 -44.79 87.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.921 177.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.712 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 67.8 mm-40 -60.11 -26.29 66.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.172 177.256 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.573 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 4.2 mtt180 -79.02 -51.13 10.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.004 174.352 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.712 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 29.7 mm-40 -50.45 -38.29 42.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.509 -179.132 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' A' ' 49' ' ' ARG . 5.7 mm-40 -54.73 -49.24 71.27 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -177.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.07 -16.75 59.87 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.403 0.621 . . . . 0.0 110.713 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 48.0 mt -88.5 -18.55 27.94 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.177 -179.453 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.712 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 81.1 mt -83.21 -49.53 9.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.643 174.072 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.485 ' HB3' HG12 ' A' ' 64' ' ' ILE . 41.9 mt-10 -123.82 126.58 46.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.635 177.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.512 ' O ' HD13 ' A' ' 64' ' ' ILE . 76.3 mtm180 -63.99 120.21 11.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.711 -174.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -65.27 -21.13 66.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.259 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -84.24 -10.74 57.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.375 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -69.58 -68.39 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.382 -173.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 69' ' ' PHE . 35.8 tt0 -158.79 -92.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.476 -177.189 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -117.31 85.77 2.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.167 0.508 . . . . 0.0 111.017 -174.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.512 HD13 ' O ' ' A' ' 58' ' ' ARG . 4.9 mp -133.41 -50.12 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.89 0.852 . . . . 0.0 109.521 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.441 ' H ' ' HD1' ' A' ' 65' ' ' PHE . 11.3 p90 -78.66 157.96 28.5 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.602 -178.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 54.6 -128.09 41.6 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-N 116.0 -0.545 . . . . 0.0 113.618 173.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -109.99 8.75 24.25 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -175.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 153.77 -151.74 23.44 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 119.968 -1.11 . . . . 0.0 112.989 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.414 ' HA ' ' O ' ' A' ' 62' ' ' GLU . 9.4 p90 -91.72 64.85 4.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.455 0.645 . . . . 0.0 111.508 -175.342 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.92 46.11 3.43 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.19 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.2 mt -106.01 -155.76 0.55 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -71.95 -7.3 47.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.134 0.492 . . . . 0.0 110.633 178.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.85 -14.82 60.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.054 176.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -112.9 77.09 1.02 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.008 0.432 . . . . 0.0 111.555 178.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -77.0 -1.38 28.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.041 0.448 . . . . 0.0 110.691 177.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -64.69 -20.99 66.63 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.339 176.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.8 m -66.63 105.16 1.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.98 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.483 ' NE ' ' HA ' ' A' ' 78' ' ' ARG . 5.3 mmp_? -110.33 -25.48 10.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.684 177.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -133.14 27.58 4.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.788 -178.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.64 119.33 13.72 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.339 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 69.44 -67.87 0.21 Allowed 'General case' 0 N--CA 1.463 0.209 0 O-C-N 124.051 0.844 . . . . 0.0 110.404 -176.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 -80.26 93.82 5.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.003 0.43 . . . . 0.0 110.195 178.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.82 -27.66 5.38 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.467 0.651 . . . . 0.0 110.275 177.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 49.9 mmtm -105.04 129.75 53.4 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.431 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 34.1 tp . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.706 -0.664 . . . . 0.0 110.129 -179.466 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.731 0 N-CA-C 111.924 -0.47 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.539 ' HG3' ' O ' ' A' ' 19' ' ' ARG . 32.1 mmt180 -114.8 154.98 46.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 120.568 0.223 . . . . 0.0 111.048 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -75.87 125.92 9.07 Favored 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 122.448 2.099 . . . . 0.0 112.542 -178.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.64 -18.85 61.02 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.804 -176.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.5 p -57.05 -39.96 69.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.839 0.352 . . . . 0.0 111.107 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -110.34 -30.61 7.62 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.622 ' O ' HG21 ' A' ' 42' ' ' ILE . 27.6 tpt180 65.09 59.25 0.85 Allowed 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.047 -0.978 . . . . 0.0 111.037 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -29.19 70.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.749 178.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.539 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 34.5 ttt180 66.85 -65.2 0.22 Allowed 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.813 0.696 . . . . 0.0 111.002 -177.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.38 34.67 0.1 OUTLIER Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 177.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.731 HD22 HD11 ' A' ' 42' ' ' ILE . 4.1 mp -75.37 117.66 17.41 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.184 0.516 . . . . 0.0 111.314 -178.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.6 p -78.93 -179.08 6.4 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.607 172.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.05 -32.42 69.75 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.737 0.303 . . . . 0.0 110.997 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -79.67 -38.8 32.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.657 -176.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.609 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 34.2 mm-40 -67.62 -41.37 84.04 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 175.114 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.605 ' HA ' HD23 ' A' ' 21' ' ' LEU . 49.9 t80 -68.94 -31.07 69.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.563 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.471 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 24.1 t70 -69.01 -45.03 71.54 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 176.106 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -56.53 -46.0 80.84 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.355 173.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.44 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 62.9 t80 -57.95 -44.05 86.75 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.068 176.178 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.471 ' CE ' ' HA ' ' A' ' 27' ' ' ASP . 57.1 mtmt -62.66 -49.93 73.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.498 0.189 . . . . 0.0 111.075 178.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -59.02 -42.43 90.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.17 0.51 . . . . 0.0 110.351 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.517 ' O ' ' HD2' ' A' ' 36' ' ' ARG . 78.7 mtt180 -63.15 -51.36 66.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.991 175.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.522 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 41.0 ttt180 -62.64 -38.64 91.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.422 -176.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.32 -41.51 97.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.917 0.389 . . . . 0.0 110.066 176.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.9 t -63.05 -34.48 77.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.541 178.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.524 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 1.1 mpt_? -85.65 12.74 8.18 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.484 179.153 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.58 28.39 73.56 Favored Glycine 0 CA--C 1.517 0.16 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.675 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.06 -18.24 46.02 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.251 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -83.5 57.8 4.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.365 0.602 . . . . 0.0 110.587 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.524 ' HB2' ' HB2' ' A' ' 36' ' ' ARG . 18.0 t80 -139.37 102.29 4.45 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.359 -178.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.15 165.63 20.36 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.077 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.731 HD11 HD22 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -66.67 -34.1 67.81 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.096 -176.577 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -63.09 -36.06 82.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.592 0.234 . . . . 0.0 110.736 -176.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.418 ' OD1' ' HE1' ' A' ' 40' ' ' TYR . 4.0 t70 -64.84 -34.87 79.39 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.885 -0.784 . . . . 0.0 108.885 176.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.483 ' CE2' ' HD2' ' A' ' 49' ' ' ARG . 87.3 t80 -72.28 -48.65 40.86 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.482 174.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.619 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 90.7 mt -60.18 -36.35 77.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.805 -174.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 50' ' ' GLU . . . -64.27 -43.92 93.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.008 0.432 . . . . 0.0 110.818 177.223 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.55 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 20.6 t70 -70.86 -36.29 72.77 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 175.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.483 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 30.4 ttt180 -59.17 -33.99 71.58 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.301 175.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.619 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 5.5 mm-40 -63.63 -40.33 96.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.342 175.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.639 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 19.5 mtt180 -68.33 -33.76 74.89 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.614 179.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.737 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 45.2 mt-10 -58.86 -32.84 69.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.275 -175.196 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -57.16 -44.33 83.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.593 0.235 . . . . 0.0 111.457 -176.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -80.97 -16.0 54.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.955 0.407 . . . . 0.0 110.845 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 54.9 mt -83.26 -31.85 26.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.028 178.059 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.737 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 84.4 mt -71.79 -56.25 6.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.72 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -95.91 172.19 8.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.598 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.4 ' CB ' HG21 ' A' ' 64' ' ' ILE . 40.1 ptt180 -162.52 -169.76 2.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.014 0.435 . . . . 0.0 111.538 -175.368 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.5 t70 70.02 -93.1 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 114.943 -1.026 . . . . 0.0 112.518 167.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -90.12 -9.7 47.36 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.66 0.244 . . . . 0.0 111.66 -172.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -56.87 -71.47 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -176.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.632 ' H ' ' CD1' ' A' ' 64' ' ' ILE . 41.5 tt0 -174.51 95.45 0.09 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.633 0.254 . . . . 0.0 111.315 -178.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 57.57 54.73 6.17 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 171.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.632 ' CD1' ' H ' ' A' ' 62' ' ' GLU . 5.1 mp -107.82 -33.14 2.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.506 0.67 . . . . 0.0 109.795 176.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -81.0 -16.25 53.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.302 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -159.21 -157.02 8.31 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -178.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -89.54 -18.1 27.3 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.94 0.4 . . . . 0.0 110.617 -178.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -132.17 -173.45 13.33 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.185 -178.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -138.59 178.56 7.06 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 100.03 -20.92 46.98 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.833 -178.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.412 HD22 ' H ' ' A' ' 71' ' ' LEU . 2.9 mm? -66.68 -31.14 71.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.391 0.615 . . . . 0.0 109.687 176.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -138.29 110.31 7.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.853 174.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -161.45 -48.17 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.388 178.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.4 m -86.51 -23.05 26.06 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.071 0.462 . . . . 0.0 110.58 178.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 65.14 9.85 5.89 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.705 178.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.585 ' NE ' ' HA ' ' A' ' 76' ' ' ARG . 7.7 mmp_? 56.83 43.55 24.79 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.466 -175.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.2 p -67.3 86.27 0.17 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.054 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -107.85 122.9 47.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.016 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp 60.54 36.95 19.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.303 0.573 . . . . 0.0 109.677 -175.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -135.03 74.9 1.54 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.896 -175.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -81.45 66.71 7.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.116 0.484 . . . . 0.0 110.983 -178.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -133.18 124.03 26.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.424 178.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.36 -19.03 16.48 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.18 0.514 . . . . 0.0 110.378 178.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -79.64 -38.49 33.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.431 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.49 ' OXT' ' HG ' ' A' ' 85' ' ' LEU . 1.6 pt? . . . . . 0 C--O 1.249 1.04 0 CA-C-O 117.871 -1.062 . . . . 0.0 110.387 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -91.38 148.14 36.95 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.704 0.252 . . . . 0.0 110.784 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -57.91 -66.21 0.08 OUTLIER 'Trans proline' 0 C--O 1.237 0.439 0 C-N-CA 122.521 2.147 . . . . 0.0 111.308 174.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.33 110.25 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.896 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.354 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.0 m -85.52 170.98 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 172.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.5 t80 56.63 51.01 11.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.767 0.794 . . . . 0.0 109.768 -178.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -68.47 -29.59 68.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.449 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 p -142.98 150.73 40.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.845 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -98.73 53.46 1.01 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.668 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.68 44.85 96.55 Favored Glycine 0 CA--C 1.505 -0.584 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 -174.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.643 HD22 HD11 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -77.51 120.26 22.24 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.403 -0.398 . . . . 0.0 110.472 -175.727 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.8 p -76.08 174.91 9.44 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.475 177.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -58.37 -37.65 75.65 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 121.094 -0.242 . . . . 0.0 111.583 -176.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -65.59 -52.72 50.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.712 0.292 . . . . 0.0 110.987 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.632 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 23.2 mt-10 -59.8 -46.67 88.49 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.247 0.546 . . . . 0.0 110.027 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.521 ' HA ' HD23 ' A' ' 21' ' ' LEU . 51.6 t80 -65.2 -28.56 69.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.867 -178.054 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.426 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 27.8 t70 -73.68 -41.0 63.25 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -64.04 -37.3 86.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.551 0.691 . . . . 0.0 109.237 173.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.404 ' HB3' ' HA ' ' A' ' 26' ' ' TYR . 19.4 t80 -64.05 -46.99 81.91 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.836 -1.074 . . . . 0.0 110.833 175.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 57.3 mtmt -59.51 -46.72 88.0 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 121.1 0.476 . . . . 0.0 109.784 175.376 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -53.09 -54.38 36.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.653 176.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.415 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 91.4 mtt180 -63.33 -37.67 88.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.503 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.59 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 19.9 ttt180 -72.67 -31.38 65.03 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.418 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -64.34 -41.09 96.96 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 174.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.1 m -60.82 -18.45 55.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.582 177.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.5 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 7.0 mpt_? -108.91 9.2 26.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.309 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.21 32.45 80.68 Favored Glycine 0 C--N 1.329 0.165 0 C-N-CA 121.1 -0.571 . . . . 0.0 112.483 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.19 -19.75 52.64 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.254 -178.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -79.67 55.97 2.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.314 0.578 . . . . 0.0 111.028 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.59 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 18.9 t80 -147.46 102.05 3.42 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -178.118 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.48 172.45 10.99 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.211 -178.205 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.653 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 3.5 tp -60.89 -33.5 55.77 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.156 -178.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.75 -39.92 94.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.658 0.266 . . . . 0.0 111.111 -178.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.43 -38.31 83.67 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.45 0.643 . . . . 0.0 109.316 175.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.506 ' CE2' HD21 ' A' ' 21' ' ' LEU . 93.0 t80 -70.61 -47.51 59.79 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.453 176.141 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 88.3 mt -59.8 -33.05 71.22 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 123.543 0.527 . . . . 0.0 110.76 -177.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.3 93.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.025 174.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.443 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 3.4 t70 -77.3 -32.39 55.38 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 177.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.407 ' HB3' ' HA ' ' A' ' 46' ' ' LEU . 77.2 ttt-85 -64.25 -38.47 91.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.318 177.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -58.25 -29.49 65.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.42 173.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.516 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 6.8 mtt180 -86.35 -27.21 24.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.704 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.627 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 41.1 mt-10 -60.02 -17.68 40.61 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -174.226 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -57.16 -41.83 79.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.767 0.318 . . . . 0.0 110.721 177.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 12.3 pt-20 -88.2 -18.12 29.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.166 0.508 . . . . 0.0 110.71 177.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 48.7 mt -82.44 -6.43 59.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.591 -176.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.627 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 98.0 mt -71.13 -18.89 62.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.264 0.554 . . . . 0.0 109.749 173.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -117.24 81.63 1.68 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.371 177.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 4.3 mmp_? -110.19 128.79 55.68 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.104 178.224 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -69.4 -13.54 62.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.073 -178.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -85.04 -12.91 52.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.113 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -94.22 -71.76 0.65 Allowed 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.606 -176.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.461 ' C ' HD12 ' A' ' 64' ' ' ILE . 4.9 tt0 -134.72 -161.75 1.18 Allowed 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.072 -173.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.88 60.85 2.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.929 0.395 . . . . 0.0 111.809 -174.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.461 HD12 ' C ' ' A' ' 62' ' ' GLU . 5.3 mp -98.12 -25.4 4.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.334 0.588 . . . . 0.0 110.27 178.061 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -87.24 38.97 0.84 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.668 -175.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.95 -98.43 1.48 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.426 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -82.29 -164.49 0.83 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.565 0.222 . . . . 0.0 111.098 -177.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.25 173.88 8.05 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.952 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -110.81 115.59 29.8 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.24 0.543 . . . . 0.0 111.412 -175.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.86 22.24 41.24 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.635 -0.793 . . . . 0.0 111.576 175.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.7 mt -105.01 -67.53 0.91 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.494 0.188 . . . . 0.0 110.965 -177.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -65.97 -27.98 68.55 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.219 0.533 . . . . 0.0 109.901 177.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.86 76.56 3.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.8 175.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 29.3 p -65.46 -33.77 76.73 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.95 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 51.32 63.65 2.16 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.192 0.52 . . . . 0.0 110.355 -178.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -78.12 -174.39 3.62 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.843 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.4 m -66.14 89.04 0.12 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.143 0.497 . . . . 0.0 110.694 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -77.1 -30.34 55.29 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.34 -177.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -100.97 46.53 0.94 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.584 179.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.8 -65.52 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.798 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -130.49 -62.6 0.92 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.625 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 51.97 59.42 4.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.682 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.76 -27.71 60.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.442 0.639 . . . . 0.0 109.319 174.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -106.97 -171.66 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.321 174.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.8 mp . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.542 -178.189 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 111.937 -0.465 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.428 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 24.2 mtm180 -74.26 146.38 84.26 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 120.489 0.185 . . . . 0.0 111.064 -178.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 12' ' ' ARG . 11.6 Cg_exo -71.11 -177.15 2.15 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 123.088 2.525 . . . . 0.0 111.873 177.275 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.11 26.48 1.2 Allowed Glycine 0 CA--C 1.519 0.286 0 CA-C-N 115.994 -0.548 . . . . 0.0 113.318 -177.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.403 ' H ' ' C ' ' A' ' 13' ' ' PRO . 27.5 m -93.27 -19.5 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.373 0.606 . . . . 0.0 109.952 175.537 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -168.02 81.76 0.18 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.858 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -99.22 104.47 16.42 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.134 176.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.444 ' O ' ' HB3' ' A' ' 19' ' ' ARG . 1.0 OUTLIER -65.66 -29.89 70.52 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -176.534 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.444 ' HB3' ' O ' ' A' ' 18' ' ' THR . 58.1 ttt180 69.3 -62.49 0.41 Allowed 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.702 0.627 . . . . 0.0 110.512 -175.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -179.61 38.19 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.796 0 N-CA-C 110.304 -1.118 . . . . 0.0 110.304 177.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.716 HD22 HD11 ' A' ' 42' ' ' ILE . 1.5 mp -74.12 114.09 12.07 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.061 0.457 . . . . 0.0 111.186 -176.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.5 p -75.65 175.21 8.82 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.426 173.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -56.89 -39.2 73.95 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.513 0.197 . . . . 0.0 111.19 -177.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -68.09 -40.9 82.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.653 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.622 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 38.8 mm-40 -64.25 -47.86 78.02 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.333 0.587 . . . . 0.0 109.764 176.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.591 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 70.0 t80 -64.33 -37.92 89.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.866 -177.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.509 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 36.2 t70 -62.97 -43.93 97.44 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.21 178.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -62.05 -44.63 96.27 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.552 0.691 . . . . 0.0 109.709 176.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -57.31 -42.08 81.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.165 176.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.591 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 50.3 mtmt -61.76 -50.59 71.78 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 120.857 0.361 . . . . 0.0 110.238 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -55.25 -45.75 76.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.516 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.56 ' O ' ' HD2' ' A' ' 36' ' ' ARG . 98.7 mtt180 -64.29 -44.96 90.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.113 178.032 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.581 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 13.4 ttt180 -63.9 -41.79 97.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -62.91 -39.41 94.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.917 0.389 . . . . 0.0 110.276 175.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.0 t -61.84 -28.28 69.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.578 177.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.59 ' HD3' ' CD1' ' A' ' 40' ' ' TYR . 2.1 mpt_? -94.81 16.55 15.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 177.239 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.29 25.79 71.35 Favored Glycine 0 C--N 1.333 0.397 0 C-N-CA 121.376 -0.44 . . . . 0.0 112.874 177.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.96 -15.28 62.21 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.07 -178.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -86.93 69.68 10.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.101 0.476 . . . . 0.0 110.378 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.59 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 13.9 t80 -152.87 107.04 3.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.824 -177.499 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.89 165.92 21.37 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.489 -0.485 . . . . 0.0 110.657 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.716 HD11 HD22 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -64.58 -33.41 62.93 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.004 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.937 176.634 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.79 -37.42 86.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.978 0.418 . . . . 0.0 110.311 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -65.14 -33.89 77.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.708 175.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.45 ' CE2' ' HD2' ' A' ' 49' ' ' ARG . 84.9 t80 -73.8 -43.02 60.11 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.284 174.035 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.653 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 92.5 mt -65.99 -31.67 72.72 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.792 -175.184 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 50' ' ' GLU . . . -72.3 -39.16 68.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.844 0.354 . . . . 0.0 110.787 176.48 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.613 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 13.6 t70 -72.43 -33.13 66.87 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 174.696 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.45 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 57.0 ttt-85 -62.4 -36.99 84.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.268 176.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.653 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 9.3 mm-40 -54.04 -33.61 57.8 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.163 173.476 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.541 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 30.3 mtt180 -85.54 -39.99 16.8 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.844 178.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.639 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 45.1 mt-10 -54.34 -43.14 70.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.128 -176.071 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -60.5 -32.83 71.81 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -175.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 12.0 pt-20 -87.85 -17.11 32.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.203 0.525 . . . . 0.0 110.658 176.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 96.3 mt -91.14 -12.4 35.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.462 -178.538 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 95.4 mt -61.81 -52.93 62.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.357 . . . . 0.0 110.668 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -111.99 136.35 51.45 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.011 175.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.534 ' O ' HD13 ' A' ' 64' ' ' ILE . 4.8 ptm180 -157.46 123.91 4.91 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.474 0.654 . . . . 0.0 110.629 -178.201 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.491 ' OD1' ' HB3' ' A' ' 65' ' ' PHE . 22.4 m-20 -56.27 -24.88 45.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.92 -178.602 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -63.65 -38.0 89.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.886 -176.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -76.87 -15.94 59.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.972 -174.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.561 ' OE2' ' HG ' ' A' ' 71' ' ' LEU . 32.5 tt0 69.33 150.33 0.08 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.531 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 62' ' ' GLU . . . 78.83 16.37 1.05 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.694 0.798 . . . . 0.0 111.867 178.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.534 HD13 ' O ' ' A' ' 58' ' ' ARG . 4.6 mp -109.65 -54.65 5.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 172.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.491 ' HB3' ' OD1' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -65.53 158.49 26.86 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.464 -1.243 . . . . 0.0 110.511 174.387 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.77 -0.5 83.73 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.17 -0.538 . . . . 0.0 113.871 -170.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -141.14 125.68 17.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.963 0.381 . . . . 0.0 110.864 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.79 38.67 3.58 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.989 175.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -126.76 131.03 51.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 117.268 0.534 . . . . 0.0 111.148 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -121.57 -10.3 6.6 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.889 176.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.561 ' HG ' ' OE2' ' A' ' 62' ' ' GLU . 90.3 mt -63.05 -52.93 60.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.818 0.342 . . . . 0.0 110.908 177.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -106.42 59.53 0.64 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.048 178.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.47 66.77 5.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.306 0.574 . . . . 0.0 111.06 -177.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 54.9 m -75.14 113.09 12.09 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.181 177.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -70.75 98.73 1.59 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.912 0.387 . . . . 0.0 110.631 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -90.28 29.3 1.27 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.18 0.514 . . . . 0.0 109.858 176.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.4 p -67.75 -52.19 40.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.619 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 59.6 -90.17 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.317 177.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -83.76 -16.43 44.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.174 0.512 . . . . 0.0 110.0 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.48 51.87 2.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.817 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -102.9 9.07 39.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.448 178.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -75.65 -47.76 25.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.366 -178.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 69.63 -63.81 0.37 Allowed 'General case' 0 N--CA 1.465 0.297 0 O-C-N 124.274 0.984 . . . . 0.0 111.282 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -161.8 120.54 2.36 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.479 -0.772 . . . . 0.0 109.342 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.814 0 N-CA-C 111.859 -0.496 . . . . 0.0 111.859 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 12' ' ' ARG . 1.7 ptt180 -153.45 168.08 12.29 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.411 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -69.61 -72.91 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.052 1.835 . . . . 0.0 111.38 171.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 59.62 42.06 97.64 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.105 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.5 m -64.33 -27.78 43.42 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 CA-C-O 121.462 0.648 . . . . 0.0 109.905 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -137.79 127.75 25.68 Favored 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 172.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -80.31 69.73 6.81 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.535 0.683 . . . . 0.0 110.656 -178.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.619 ' O ' HD13 ' A' ' 21' ' ' LEU . 2.3 p -139.63 -50.78 0.5 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.783 177.461 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 46' ' ' LEU . 38.9 ttm180 68.72 49.94 0.68 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.442 0.639 . . . . 0.0 109.723 -175.571 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.58 47.18 91.45 Favored Glycine 0 C--N 1.331 0.252 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.947 177.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.8 HD22 HD11 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -79.58 125.83 30.11 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.876 0.369 . . . . 0.0 110.062 178.199 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.4 p -82.63 175.57 10.06 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.922 176.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -56.87 -38.72 73.12 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.619 0.247 . . . . 0.0 111.017 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -69.26 -46.56 66.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 -178.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.637 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 40.3 mm-40 -59.75 -48.5 81.42 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.431 0.634 . . . . 0.0 109.971 176.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.587 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 60.3 t80 -63.71 -33.34 75.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.708 -177.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.465 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 33.4 t70 -69.82 -42.73 73.25 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.332 178.447 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -60.92 -40.76 94.41 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 174.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -60.72 -47.47 86.14 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.867 175.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.587 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 58.4 mtmt -59.93 -48.01 83.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.207 0.527 . . . . 0.0 109.776 176.381 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -52.31 -48.03 65.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.764 176.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -69.52 -39.92 77.25 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.644 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.605 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 14.8 ttt180 -67.89 -40.33 83.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.08 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -62.24 -37.2 84.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.948 0.404 . . . . 0.0 109.997 175.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.0 t -66.13 -22.29 66.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.728 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.552 ' HD3' ' CD1' ' A' ' 40' ' ' TYR . 5.7 mpt_? -99.19 12.2 36.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.846 0.355 . . . . 0.0 110.721 176.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.61 26.0 73.81 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 121.132 -0.556 . . . . 0.0 112.842 178.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.97 -9.6 76.25 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.43 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.0 68.96 4.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.477 0.656 . . . . 0.0 109.992 178.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.605 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 20.1 t80 -152.48 101.44 2.66 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.025 -177.191 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.59 168.45 19.76 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.191 -177.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.8 HD11 HD22 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -63.33 -32.55 56.9 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.897 0 C-N-CA 120.306 -0.558 . . . . 0.0 109.882 177.718 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.34 -35.91 82.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.65 0.262 . . . . 0.0 110.953 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -63.31 -32.77 74.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.396 0.617 . . . . 0.0 109.444 174.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.495 ' CE2' ' HD2' ' A' ' 49' ' ' ARG . 90.3 t80 -76.56 -46.66 25.42 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.543 175.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 86.6 mt -64.59 -36.71 85.12 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 123.282 0.633 . . . . 0.0 111.791 -175.038 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.91 -38.61 89.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.931 0.396 . . . . 0.0 110.465 176.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.529 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 26.9 t70 -74.56 -35.0 63.07 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 176.192 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.495 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 29.9 ttt180 -61.22 -35.02 76.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.104 177.451 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 41.0 mm-40 -62.1 -29.67 70.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.773 174.581 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.554 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 40.2 mtt180 -86.59 -24.05 25.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.577 178.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.74 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 34.6 mt-10 -67.13 -17.81 65.02 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.147 -176.532 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.62 -42.68 93.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.963 0.411 . . . . 0.0 110.548 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -86.49 -16.34 37.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.418 176.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.566 ' HB2' ' HA ' ' A' ' 52' ' ' GLU . 76.0 mt -85.46 -20.89 29.08 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.727 0.298 . . . . 0.0 111.137 179.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.74 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 56.7 mt -68.16 -32.14 72.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.156 0.503 . . . . 0.0 109.892 175.57 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.576 ' HA ' HG12 ' A' ' 64' ' ' ILE . 6.0 pt-20 -94.95 55.45 1.84 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.326 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -95.97 -74.98 0.54 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.251 177.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.418 ' HA ' ' HB ' ' A' ' 64' ' ' ILE . 0.7 OUTLIER -162.51 -83.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -175.456 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -67.34 -22.09 65.61 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 123.154 0.581 . . . . 0.0 111.207 -178.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -50.46 -66.21 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.229 -173.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -160.9 79.38 0.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.08 0.467 . . . . 0.0 111.356 -177.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.552 ' HA ' ' O ' ' A' ' 68' ' ' GLY . . . 55.89 71.23 0.57 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.419 -0.81 . . . . 0.0 113.037 172.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.576 HG12 ' HA ' ' A' ' 57' ' ' GLU . 5.1 mp -117.95 -37.56 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.456 0.646 . . . . 0.0 110.506 175.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 71' ' ' LEU . 32.6 p90 -77.36 6.73 6.32 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.595 -178.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 161.55 -178.08 37.59 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 110.421 -1.071 . . . . 0.0 110.421 -178.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -83.13 64.6 7.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.671 0.748 . . . . 0.0 109.991 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.552 ' O ' ' HA ' ' A' ' 63' ' ' ALA . . . 164.77 170.65 30.01 Favored Glycine 0 N--CA 1.442 -0.913 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.116 -179.449 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -120.09 32.5 6.01 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.358 0.599 . . . . 0.0 110.345 -177.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.3 63.6 4.3 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.366 -179.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 26.5 tp -131.88 51.19 2.17 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.368 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt 64.1 28.75 14.22 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.685 -178.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.19 -28.01 24.18 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.654 -178.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.0 p -84.68 122.96 29.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.821 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -95.16 -3.13 48.41 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.399 0.619 . . . . 0.0 109.92 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -115.51 -65.53 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.514 178.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.5 p -85.83 64.94 8.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.029 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -106.21 121.16 43.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.805 177.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.8 mttm 54.61 40.77 32.08 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.523 0.677 . . . . 0.0 110.597 -176.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -143.16 106.5 4.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.346 -178.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -92.66 -22.46 19.43 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -76.81 125.6 29.55 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -93.52 -11.95 30.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.846 0.355 . . . . 0.0 111.27 -176.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -86.88 38.61 0.81 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.033 0.444 . . . . 0.0 110.908 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.3 mt . . . . . 0 C--O 1.243 0.739 0 CA-C-O 118.689 -0.672 . . . . 0.0 110.023 179.474 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.798 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.462 ' HG2' ' OD2' ' A' ' 43' ' ' ASP . 17.8 mmt180 -86.47 146.31 41.63 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 121.319 0.581 . . . . 0.0 111.376 -176.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -79.36 52.29 4.22 Favored 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 123.648 2.899 . . . . 0.0 113.334 -176.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.99 -19.53 6.41 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 121.096 -0.573 . . . . 0.0 113.591 175.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.1 m -67.72 -39.66 82.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -175.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.441 ' HB3' ' HG3' ' A' ' 12' ' ' ARG . 30.7 t80 -109.24 -66.59 1.05 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.706 0.289 . . . . 0.0 110.33 -177.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.499 ' O ' HG21 ' A' ' 42' ' ' ILE . 34.6 mmt180 64.93 -90.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.1 -178.574 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 p -121.74 132.89 54.87 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.291 0.567 . . . . 0.0 111.934 -175.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -88.01 53.28 2.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.773 174.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.49 56.34 10.16 Favored Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.952 -175.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.698 HD22 HD11 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -82.74 113.27 20.28 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.789 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.4 p -67.52 171.27 6.36 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.584 178.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -58.24 -36.76 73.68 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.205 -176.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.5 -43.7 72.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.755 -0.202 . . . . 0.0 111.265 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.595 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 55.0 mm-40 -63.19 -45.34 92.2 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.106 0.479 . . . . 0.0 109.828 177.179 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.515 ' CE2' ' HD2' ' A' ' 30' ' ' LYS . 62.6 t80 -67.39 -40.55 85.68 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.522 -178.246 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.475 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 24.3 t70 -61.43 -45.73 93.06 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.012 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -59.75 -49.47 77.61 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.886 176.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.406 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 11.9 t80 -49.69 -46.74 50.32 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.191 174.392 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.515 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 21.6 mtpp -61.43 -46.46 90.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.288 178.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -63.62 -40.13 96.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.415 0.626 . . . . 0.0 110.394 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -67.77 -39.5 84.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.635 177.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.592 ' HA ' ' HB3' ' A' ' 40' ' ' TYR . 30.5 ttt180 -67.38 -35.57 79.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.387 176.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -61.06 -40.04 92.15 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.078 176.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.9 m -66.8 -18.09 65.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.401 179.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.538 ' HD3' ' CD1' ' A' ' 40' ' ' TYR . 4.8 mpt_? -102.79 11.67 37.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.636 177.039 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.32 30.91 77.49 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.405 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.34 -21.62 39.51 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.425 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -79.53 61.93 3.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.201 0.524 . . . . 0.0 111.403 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.592 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . 25.1 t80 -154.59 94.92 1.73 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.523 -0.762 . . . . 0.0 108.967 -175.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.4 p -76.8 174.31 10.65 Favored 'General case' 0 CA--C 1.492 -1.275 0 C-N-CA 119.3 -0.96 . . . . 0.0 111.093 -176.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.712 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 5.1 tp -59.43 -35.47 58.84 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.784 0 CA-C-N 114.563 -1.199 . . . . 0.0 109.571 177.01 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.462 ' OD2' ' HG2' ' A' ' 12' ' ' ARG . 10.3 m-20 -66.33 -39.56 89.34 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.271 -178.17 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -60.78 -33.38 72.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.402 0.62 . . . . 0.0 109.434 177.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.565 ' CE2' ' HD2' ' A' ' 49' ' ' ARG . 89.6 t80 -78.43 -46.57 19.49 Favored 'General case' 0 C--O 1.214 -0.782 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.243 175.104 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.712 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 83.6 mt -61.28 -44.84 96.58 Favored 'General case' 0 C--O 1.219 -0.531 0 C-N-CA 123.002 0.521 . . . . 0.0 112.042 -175.588 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.52 -36.56 82.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.92 0.39 . . . . 0.0 111.07 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.609 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 27.9 t70 -79.83 -35.95 37.55 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.484 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.565 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 63.5 ttt-85 -58.1 -41.54 83.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.013 175.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 6.3 mm-40 -51.91 -43.72 63.51 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.078 173.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.605 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 22.4 mtt180 -66.8 -45.88 76.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.416 175.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.609 ' HG3' ' O ' ' A' ' 48' ' ' ASP . 34.9 mt-10 -56.65 -40.05 74.79 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.928 -175.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -64.72 -31.99 73.47 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -177.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 13.3 pt-20 -86.87 -17.84 32.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.309 0.576 . . . . 0.0 109.978 177.345 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 89.8 mt -90.44 -4.31 57.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.649 179.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 82.8 mt -67.65 -60.32 2.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.23 0.538 . . . . 0.0 110.412 177.303 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.501 ' HB2' HG21 ' A' ' 64' ' ' ILE . 4.3 pt-20 -71.88 88.0 1.02 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.138 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.5 mtm180 -101.58 44.65 1.0 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.602 -178.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.1 t70 62.15 -83.16 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 O-C-N 123.628 0.58 . . . . 0.0 112.225 171.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -74.07 -9.26 58.45 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -174.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -44.36 -47.55 9.67 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.13 0.491 . . . . 0.0 111.029 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -149.1 -80.08 0.13 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.401 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.83 41.19 0.58 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.726 0.298 . . . . 0.0 111.308 -178.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.501 HG21 ' HB2' ' A' ' 57' ' ' GLU . 2.5 mp -95.11 64.61 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.216 -179.073 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -164.88 23.83 0.06 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.053 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -139.98 -154.83 6.4 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.794 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -79.67 -9.3 59.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.296 0.57 . . . . 0.0 109.986 178.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -175.7 -167.72 35.06 Favored Glycine 0 N--CA 1.442 -0.922 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -106.61 18.88 21.3 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.168 0.509 . . . . 0.0 110.547 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.28 55.48 4.75 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.182 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.0 tt -78.58 -67.83 0.7 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -96.56 -44.25 7.24 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.75 92.05 8.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.77 176.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 36.1 p -77.83 -43.75 29.45 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.011 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 54.47 65.22 1.56 Allowed 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.166 0.507 . . . . 0.0 110.459 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -90.71 -49.36 6.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.408 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.5 p -87.21 65.99 9.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.467 0.651 . . . . 0.0 110.346 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.7 mtm180 -70.85 -31.75 68.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.391 -178.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -77.38 -18.98 56.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.516 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.75 -39.97 80.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.26 0.552 . . . . 0.0 109.617 173.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -69.68 -49.09 56.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.719 174.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -79.66 71.48 6.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.042 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -85.68 5.73 30.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.211 -175.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -104.74 -71.93 0.72 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.165 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 92.6 mt . . . . . 0 C--O 1.251 1.183 0 O-C-N 123.657 0.598 . . . . 0.0 111.153 -177.692 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 111.978 -0.449 . . . . 0.0 111.978 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 69.1 99.72 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.941 0.877 . . . . 0.0 112.055 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -90.41 179.62 1.85 Allowed 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 124.374 3.383 . . . . 0.0 112.441 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.468 ' HA2' ' HB2' ' A' ' 17' ' ' ARG . . . 73.88 27.9 65.9 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.118 -0.563 . . . . 0.0 112.458 178.263 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.463 HG23 ' CD2' ' A' ' 16' ' ' PHE . 29.3 m -79.61 -36.32 17.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 111.584 0.216 . . . . 0.0 111.584 -177.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.463 ' CD2' HG23 ' A' ' 15' ' ' VAL . 12.7 p90 -135.14 15.6 3.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.023 0.44 . . . . 0.0 111.223 175.248 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.468 ' HB2' ' HA2' ' A' ' 14' ' ' GLY . 4.8 mpt_? -74.18 122.22 22.44 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.5 p -65.37 -21.66 66.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.243 -172.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.488 ' HD3' HD22 ' A' ' 46' ' ' LEU . 74.5 ttt180 65.1 11.21 6.97 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.264 0.554 . . . . 0.0 110.626 177.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.26 34.28 14.87 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.85 -174.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.767 HD22 HD11 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -64.86 118.01 8.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.975 0.417 . . . . 0.0 110.892 179.224 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.3 p -72.07 169.35 16.2 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.872 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -55.71 -41.87 74.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.486 0.184 . . . . 0.0 111.209 -175.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -62.19 -47.69 83.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.412 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.614 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 43.2 mm-40 -61.05 -47.8 84.72 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.401 0.62 . . . . 0.0 109.893 178.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.53 ' HA ' HD23 ' A' ' 21' ' ' LEU . 67.7 t80 -63.68 -31.23 72.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.59 -178.544 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.474 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 25.4 t70 -67.45 -45.84 74.83 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.179 177.39 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -60.85 -41.81 96.6 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 175.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -57.28 -44.77 84.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.159 175.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 57.7 mtmt -61.6 -47.83 83.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.033 0.444 . . . . 0.0 110.739 178.427 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -60.12 -37.84 81.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.676 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -72.87 -37.53 67.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.126 177.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.577 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 35.5 ttt180 -69.97 -36.11 74.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.671 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -60.02 -43.8 95.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.033 173.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.0 t -58.33 -32.34 68.41 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.208 178.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.593 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 9.0 mpt_? -91.58 8.4 36.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.175 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.28 29.01 73.81 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 121.202 -0.523 . . . . 0.0 112.471 179.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.38 -27.72 16.07 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.18 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -81.81 70.38 8.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.396 0.617 . . . . 0.0 110.72 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.593 ' HB2' ' HB2' ' A' ' 36' ' ' ARG . 30.6 t80 -146.81 108.03 4.23 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.478 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.42 173.13 12.31 Favored 'General case' 0 CA--C 1.499 -0.997 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.569 178.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.767 HD11 HD22 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -71.82 -27.09 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.507 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.082 179.524 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.94 -35.16 77.95 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.637 -176.529 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.461 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 5.9 t70 -69.14 -34.37 74.91 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 177.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.451 ' CE2' ' HD2' ' A' ' 49' ' ' ARG . 91.4 t80 -69.12 -47.65 64.55 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.237 173.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 80.1 mt -64.34 -32.19 73.69 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.416 -176.151 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.9 -40.12 72.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.723 0.297 . . . . 0.0 110.569 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.597 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 10.5 t70 -73.67 -33.05 64.28 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 175.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.451 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 39.5 ttt-85 -61.84 -35.61 78.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.076 176.103 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.637 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 7.2 mm-40 -59.96 -34.65 73.55 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.136 174.065 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.515 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 35.7 mtt180 -74.71 -40.3 61.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.397 175.522 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.742 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 41.9 mt-10 -59.12 -31.39 68.89 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.754 -176.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -50.49 -42.63 54.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.872 0.368 . . . . 0.0 111.839 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 12.1 pt-20 -88.0 -17.33 31.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.083 0.468 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 72.2 mt -90.53 -11.31 40.51 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.249 -175.294 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.742 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 78.7 mt -71.67 -174.64 1.17 Allowed 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.964 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 62.47 -156.42 0.34 Allowed 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.181 -174.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.505 ' N ' ' HD2' ' A' ' 58' ' ' ARG . 8.1 mpt_? -80.02 162.35 24.92 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.052 0.453 . . . . 0.0 110.465 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -138.91 -64.64 0.5 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.138 -177.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -80.69 -10.85 59.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.603 -176.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.55 -71.04 0.13 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.976 -175.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.48 ' H ' ' CD1' ' A' ' 64' ' ' ILE . 40.7 tt0 -166.48 94.03 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.762 0.315 . . . . 0.0 111.719 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 50.4 62.23 2.79 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 169.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.48 ' CD1' ' H ' ' A' ' 62' ' ' GLU . 4.6 mp -109.78 -25.67 3.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.468 0.651 . . . . 0.0 110.525 177.293 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -95.65 13.18 27.18 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.067 -174.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 155.26 -165.56 32.36 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.965 -0.636 . . . . 0.0 111.679 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -78.55 112.09 15.27 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.74 -167.34 54.84 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.282 -175.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -141.32 -67.44 0.4 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 117.166 0.483 . . . . 0.0 111.065 176.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 56.04 27.76 52.09 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.887 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 61.3 tp -93.32 -53.66 4.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.08 0.467 . . . . 0.0 110.022 -179.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -151.01 155.12 38.39 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.738 179.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -138.21 176.3 8.82 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 177.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.3 p 47.58 58.81 4.59 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 123.688 0.617 . . . . 0.0 111.375 -177.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 75' ' ' ARG . 48.1 mtp180 -77.11 71.0 3.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.336 -178.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -114.09 140.68 48.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.83 -176.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 m -81.9 82.61 7.48 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.029 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.6 mtp180 -68.79 -43.24 76.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.614 -174.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -79.5 -14.2 59.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.736 0.303 . . . . 0.0 111.579 -176.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.24 -22.86 54.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.379 0.609 . . . . 0.0 110.025 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -101.07 -66.69 0.9 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.245 177.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -89.56 83.48 6.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.216 0.531 . . . . 0.0 109.86 -177.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.67 -33.52 35.45 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.227 -176.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.2 118.47 1.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.064 179.04 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 91.3 mt . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.663 -0.684 . . . . 0.0 110.302 -178.626 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.8 0 N-CA-C 111.907 -0.477 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -93.99 133.76 27.11 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-O 120.74 0.305 . . . . 0.0 110.985 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -89.46 174.82 3.42 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 123.265 2.643 . . . . 0.0 112.669 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.69 117.45 1.5 Allowed Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.7 m -68.8 -37.36 77.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.231 0.538 . . . . 0.0 110.032 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -101.02 89.66 3.9 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 174.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.557 ' HG3' ' H ' ' A' ' 18' ' ' THR . 20.9 tpt180 -89.87 -142.87 0.16 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.609 -171.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.557 ' H ' ' HG3' ' A' ' 17' ' ' ARG . 1.6 p -80.37 128.54 33.67 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -173.463 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -82.78 58.02 4.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.363 0.602 . . . . 0.0 110.356 175.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.19 53.44 18.1 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.92 -177.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.75 HD22 HD11 ' A' ' 42' ' ' ILE . 1.2 tp -80.47 122.96 27.64 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.8 p -73.04 168.96 17.98 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.453 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.23 -34.04 70.0 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.415 -176.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -65.74 -52.4 51.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 111.055 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.616 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 28.1 mt-10 -62.66 -43.58 98.46 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.334 0.588 . . . . 0.0 110.34 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.52 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 55.6 t80 -67.29 -29.15 68.66 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.367 -179.398 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.446 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 36.8 t70 -69.51 -45.77 68.13 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 177.271 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.452 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 18.3 tp10 -58.94 -43.95 91.3 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 175.13 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -56.49 -44.68 80.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.018 174.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 56.9 mtmt -62.77 -46.55 87.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.527 0.203 . . . . 0.0 111.018 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.452 ' HE2' ' HA ' ' A' ' 28' ' ' GLU . 43.8 mtmt -60.3 -45.81 92.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.214 0.53 . . . . 0.0 110.202 177.51 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.524 HH12 ' HB3' ' A' ' 48' ' ' ASP . 77.6 mtt180 -60.98 -40.67 94.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.143 177.342 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.563 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 20.2 ttt180 -70.2 -33.04 71.21 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.411 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -64.21 -39.69 94.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.235 0.541 . . . . 0.0 109.694 171.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.408 ' HB3' ' O ' ' A' ' 32' ' ' ARG . 32.3 t -61.14 -23.78 65.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.741 178.514 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.557 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 9.5 mpt_? -104.34 10.59 35.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.263 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.53 30.56 74.85 Favored Glycine 0 CA--C 1.518 0.227 0 C-N-CA 121.079 -0.582 . . . . 0.0 112.509 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.57 -25.18 28.98 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.633 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.89 65.37 7.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.336 0.588 . . . . 0.0 110.972 -178.08 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.563 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 35.7 t80 -145.96 109.87 4.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.045 -179.263 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.48 164.52 16.11 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.134 -179.318 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.75 HD11 HD22 ' A' ' 21' ' ' LEU . 3.1 tp -62.96 -29.57 47.49 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.419 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.85 -42.3 97.61 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.317 0.103 . . . . 0.0 111.118 -177.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.429 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 7.8 t70 -61.06 -37.27 82.05 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 178.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.433 ' CE2' HD21 ' A' ' 21' ' ' LEU . 92.0 t80 -68.74 -48.49 63.64 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.194 174.036 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.738 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 96.6 mt -60.38 -34.55 74.05 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 123.308 0.643 . . . . 0.0 111.963 -175.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.26 -38.83 88.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.085 0.469 . . . . 0.0 110.58 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.524 ' HB3' HH12 ' A' ' 32' ' ' ARG . 19.0 t70 -76.65 -35.43 57.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.413 176.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.477 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 65.7 ttt-85 -60.35 -41.2 93.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.757 176.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -55.58 -31.71 62.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.498 175.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.651 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 26.1 mtt180 -76.08 -46.19 30.26 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.12 174.333 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.71 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 50.2 mt-10 -56.79 -31.58 64.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.584 -177.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 49' ' ' ARG . 21.2 mm-40 -52.05 -43.19 63.66 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.246 0.342 . . . . 0.0 111.349 177.531 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 12.8 pt-20 -88.76 -16.52 31.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.845 0.355 . . . . 0.0 111.124 179.352 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.651 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 89.6 mt -82.71 -28.81 30.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.482 -175.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.71 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 1.9 pp -87.03 -165.59 1.33 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.243 179.29 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -51.49 116.78 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.295 0.569 . . . . 0.0 112.33 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -111.38 127.81 55.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.059 177.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -74.05 -23.23 59.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.773 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -75.64 -13.52 60.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.494 -178.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.457 ' HB3' HD13 ' A' ' 64' ' ' ILE . 40.4 tt0 -70.47 -68.14 0.45 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.017 -175.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.443 ' O ' ' HB3' ' A' ' 69' ' ' PHE . 9.0 tp10 -161.89 -95.47 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.139 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.553 ' HA ' ' O ' ' A' ' 68' ' ' GLY . . . -114.33 74.46 0.87 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.195 0.522 . . . . 0.0 111.05 -175.354 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.457 HD13 ' HB3' ' A' ' 61' ' ' GLU . 4.7 mp -123.58 -23.75 2.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.862 -176.079 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.668 ' CZ ' ' HA ' ' A' ' 69' ' ' PHE . 18.3 p90 -102.54 135.6 43.88 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.368 -173.216 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 57.36 -121.47 25.6 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.85 -0.613 . . . . 0.0 112.693 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -76.61 -19.0 58.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.093 0.473 . . . . 0.0 110.596 -179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.553 ' O ' ' HA ' ' A' ' 63' ' ' ALA . . . 152.02 -82.24 0.18 Allowed Glycine 0 N--CA 1.442 -0.948 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -176.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.668 ' HA ' ' CZ ' ' A' ' 65' ' ' PHE . 36.4 p90 -154.77 172.61 17.67 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 139.15 44.51 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.587 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.4 mt -127.26 -65.58 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.664 0.269 . . . . 0.0 110.449 177.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -150.59 153.53 35.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.496 177.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.62 -58.75 0.44 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.264 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.426 HG22 ' HG2' ' A' ' 76' ' ' ARG . 4.2 m -83.56 97.68 9.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.769 -178.039 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.41 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 24.0 ptt180 -114.59 70.7 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.543 0.687 . . . . 0.0 110.706 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.426 ' HG2' HG22 ' A' ' 74' ' ' THR . 30.5 mmm180 -74.25 -23.73 59.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.565 -178.089 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.1 p -93.68 128.41 39.86 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.995 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -95.12 -23.64 17.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.703 177.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -128.58 -24.73 2.98 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.344 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.82 66.14 5.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.34 0.591 . . . . 0.0 111.018 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -117.51 137.87 52.27 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -143.11 57.81 1.4 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.27 0.557 . . . . 0.0 110.222 -175.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -138.31 -50.76 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.134 -177.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -112.38 82.71 1.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.304 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.1 mt . . . . . 0 C--O 1.245 0.868 0 CA-C-O 118.335 -0.84 . . . . 0.0 110.295 179.96 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.797 0 N-CA-C 111.798 -0.521 . . . . 0.0 111.798 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -152.83 159.96 31.67 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -177.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -76.81 62.34 7.26 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.105 2.536 . . . . 0.0 112.337 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.06 -3.37 54.61 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.181 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -71.85 -36.36 58.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.952 0.406 . . . . 0.0 111.131 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -154.03 136.96 15.41 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -114.83 -168.22 1.35 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.893 -173.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 p -57.72 122.96 14.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.898 0.38 . . . . 0.0 111.909 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -82.05 53.31 2.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.183 0.516 . . . . 0.0 110.297 175.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.89 50.49 29.25 Favored Glycine 0 CA--C 1.505 -0.569 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.81 -175.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.661 HD22 HD11 ' A' ' 42' ' ' ILE . 1.7 tp -80.41 126.21 30.9 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 45.9 p -74.68 160.69 30.47 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.21 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -51.16 -42.38 60.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 123.242 0.339 . . . . 0.0 111.79 -173.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -63.09 -47.55 82.39 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 111.697 0.258 . . . . 0.0 111.697 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.648 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 36.5 mt-10 -63.63 -42.7 98.14 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 121.184 0.516 . . . . 0.0 109.974 179.186 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.659 ' CE2' ' HD2' ' A' ' 30' ' ' LYS . 74.6 t80 -66.83 -39.23 87.58 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.43 -179.189 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.531 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 23.1 t70 -59.41 -47.15 86.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.151 0.5 . . . . 0.0 110.217 175.299 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.5 ' HA ' ' CE ' ' A' ' 31' ' ' LYS . 41.1 tt0 -61.28 -44.79 96.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.66 178.06 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.469 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 37.2 t80 -55.08 -45.94 75.42 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.924 -1.034 . . . . 0.0 111.088 174.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.659 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 22.3 mtpp -61.26 -48.25 82.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.934 178.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.5 ' CE ' ' HA ' ' A' ' 28' ' ' GLU . 52.7 mtmt -59.08 -45.02 91.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.177 0.513 . . . . 0.0 110.275 177.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.467 ' O ' ' HD2' ' A' ' 36' ' ' ARG . 84.9 mtt180 -61.19 -48.78 79.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.15 176.528 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.557 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 33.8 ttt180 -62.44 -37.38 85.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.691 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.63 -45.69 91.22 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.049 174.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 70.9 m -63.91 -29.47 70.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.887 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.498 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 3.4 mpt_? -88.44 14.59 9.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 111.011 177.296 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.34 27.89 72.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.466 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.46 -23.24 33.02 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 121.178 -0.534 . . . . 0.0 112.056 -178.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.93 71.32 10.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.335 0.588 . . . . 0.0 110.833 -177.544 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.557 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 21.9 t80 -152.45 99.05 2.45 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.45 169.07 18.94 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.987 -178.035 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.745 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 5.6 tp -62.52 -37.43 78.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 177.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -62.49 -37.8 87.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.258 -177.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -57.88 -43.35 85.97 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.364 0.602 . . . . 0.0 109.469 175.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.517 ' CE2' HD21 ' A' ' 21' ' ' LEU . 82.7 t80 -71.29 -41.79 69.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.573 177.268 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.745 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 85.5 mt -64.01 -38.43 91.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.859 -174.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.17 -34.83 79.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.759 0.314 . . . . 0.0 110.76 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.589 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 36.3 t70 -78.12 -36.03 48.44 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 175.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 49.3 ttt-85 -57.1 -43.77 82.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.195 175.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -56.37 -31.46 63.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.679 175.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.625 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 10.3 mtt180 -80.71 -33.8 35.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.457 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.589 ' HG3' ' O ' ' A' ' 48' ' ' ASP . 38.2 mt-10 -62.61 -28.29 69.79 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.411 -172.469 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -62.79 -34.31 77.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.564 0.221 . . . . 0.0 111.548 -176.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.625 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 10.3 pt-20 -87.52 -16.31 35.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.187 0.517 . . . . 0.0 110.581 178.486 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 68.5 mt -90.39 -35.47 15.16 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.31 -177.483 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mp -61.18 -43.78 98.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.411 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -105.23 131.1 53.13 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.094 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.442 ' O ' HD13 ' A' ' 64' ' ' ILE . 10.8 tpt180 -154.64 99.51 2.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.936 0.398 . . . . 0.0 110.191 177.382 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.53 -32.0 62.56 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.872 178.407 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -76.02 -9.74 58.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.288 -0.869 . . . . 0.0 112.048 -175.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.48 ' HB3' HD13 ' A' ' 64' ' ' ILE . 9.1 tp10 -75.93 -71.51 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.904 -0.319 . . . . 0.0 111.113 -177.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -139.08 -87.38 0.22 Allowed 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.427 -175.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -133.04 32.53 3.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.967 0.413 . . . . 0.0 111.331 -176.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.596 ' H ' HD12 ' A' ' 64' ' ' ILE . 3.2 mp -88.83 64.36 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-O 121.323 0.582 . . . . 0.0 109.827 -175.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -169.19 -25.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.742 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 127.08 174.99 13.94 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 34.4 t70 68.99 -62.51 0.4 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.46 0.704 . . . . 0.0 111.773 178.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 149.09 -172.37 29.2 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -109.0 35.1 3.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.484 0.659 . . . . 0.0 110.677 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.61 -21.7 79.17 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.297 174.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.7 mt -65.42 -43.3 90.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.021 0.438 . . . . 0.0 110.169 176.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -150.47 126.6 10.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.926 -179.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -143.84 -65.15 0.37 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.102 177.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.5 m -73.91 113.85 11.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.717 176.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 75' ' ' ARG . 11.0 mmt180 -73.74 87.59 1.72 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.005 -176.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -76.29 128.56 35.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.477 -177.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.9 m -85.09 70.21 10.87 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 173.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -70.23 -60.34 2.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.701 -173.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.459 ' HD3' ' O ' ' A' ' 79' ' ' LYS . 11.8 tmtt? -87.74 -35.3 17.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.809 -176.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.72 66.71 7.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.69 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 82' ' ' ARG . 12.0 tp10 -71.86 -50.29 30.78 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.0 179.224 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.473 ' HD3' ' HB2' ' A' ' 85' ' ' LEU . 36.0 ttm180 73.26 -55.71 0.67 Allowed 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.62 0.575 . . . . 0.0 112.496 171.04 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 60.26 64.23 1.26 Allowed 'General case' 0 C--O 1.238 0.45 0 CA-C-O 120.923 0.392 . . . . 0.0 110.589 -177.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt 69.99 146.72 0.06 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.748 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.473 ' HB2' ' HD3' ' A' ' 82' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.477 -0.773 . . . . 0.0 109.325 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.556 ' O ' ' HB3' ' A' ' 41' ' ' SER . . . . . . . . 0 N--CA 1.484 1.864 0 N-CA-C 112.09 -0.404 . . . . 0.0 112.09 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.441 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 99.5 mtt180 -76.64 131.39 74.16 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 120.576 0.227 . . . . 0.0 110.901 -177.339 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 12' ' ' ARG . 24.2 Cg_exo -64.54 120.27 7.52 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.983 2.455 . . . . 0.0 112.497 -178.429 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.69 -12.33 32.88 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.479 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.5 p -134.28 -46.11 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.877 0.37 . . . . 0.0 110.998 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -87.17 75.85 9.33 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 177.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -75.39 81.68 2.47 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.326 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.435 ' HB ' ' HB2' ' A' ' 21' ' ' LEU . 7.5 p 68.28 164.96 0.24 Allowed 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 124.827 1.251 . . . . 0.0 111.771 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -99.04 36.87 1.62 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.656 177.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.12 51.14 3.25 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.283 -175.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.762 HD22 HD11 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -77.61 115.53 17.44 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.169 0.509 . . . . 0.0 110.384 -178.872 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.1 p -71.47 166.43 21.76 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.897 176.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -54.64 -39.77 68.33 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.413 0.149 . . . . 0.0 111.265 -174.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.61 -50.36 72.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.356 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.534 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 56.4 mm-40 -61.74 -45.68 92.87 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.24 0.543 . . . . 0.0 110.191 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.581 ' CE2' ' HD2' ' A' ' 30' ' ' LYS . 75.3 t80 -63.82 -37.18 86.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.515 -178.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.543 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 33.6 t70 -60.64 -45.36 94.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.455 176.598 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -62.13 -45.46 93.36 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.663 177.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.402 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 38.3 t80 -55.24 -44.44 75.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.111 176.116 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.581 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 22.9 mtpp -60.13 -49.29 78.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.74 177.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -56.89 -44.01 81.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.44 0.638 . . . . 0.0 110.322 178.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -68.93 -42.33 76.91 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.361 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.568 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 39.4 ttt180 -65.4 -37.76 87.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.844 179.048 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -61.93 -42.78 99.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.047 0.451 . . . . 0.0 110.139 175.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.7 t -60.69 -38.69 85.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.998 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.547 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 3.5 mpt_? -81.37 4.07 22.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.797 0.332 . . . . 0.0 111.331 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.42 31.65 63.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.551 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.32 -17.57 42.38 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.189 -0.529 . . . . 0.0 111.936 -179.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -85.2 63.24 7.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.354 0.597 . . . . 0.0 110.174 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.568 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 16.2 t80 -146.01 103.87 3.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.639 -178.245 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.556 ' HB3' ' O ' ' A' ' 11' ' ' GLY . 0.2 OUTLIER -78.86 169.28 18.46 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.681 179.02 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.762 HD11 HD22 ' A' ' 21' ' ' LEU . 3.1 tp -69.11 -34.53 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.117 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -66.78 -34.1 77.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.732 0.301 . . . . 0.0 110.915 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -64.3 -35.36 80.61 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 174.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.546 ' CE2' ' HD2' ' A' ' 49' ' ' ARG . 81.9 t80 -71.86 -49.47 37.89 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.067 173.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.659 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 86.1 mt -59.29 -30.76 68.55 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.809 -175.464 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.63 -43.75 75.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.808 0.337 . . . . 0.0 111.16 177.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.598 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 37.7 t70 -77.2 -27.02 53.41 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.546 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 50.0 ttt-85 -65.42 -38.21 89.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.676 174.091 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.649 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 63.1 mm-40 -56.26 -34.6 66.55 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.631 172.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.579 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 3.1 mmp_? -69.85 -51.96 28.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.224 174.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.755 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 40.9 mt-10 -52.41 -47.31 66.38 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 114.839 -1.073 . . . . 0.0 112.405 -175.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -55.47 -35.88 65.98 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -173.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -87.67 -19.49 27.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.101 0.477 . . . . 0.0 110.718 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 94.9 mt -90.24 -10.32 44.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.026 -177.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.755 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 85.1 mt -76.85 -152.79 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.576 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.586 ' O ' HD13 ' A' ' 64' ' ' ILE . 48.2 mt-10 69.76 -66.59 0.26 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.341 0.656 . . . . 0.0 110.674 -177.052 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -49.33 113.57 0.84 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.297 0.373 . . . . 0.0 110.435 176.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.3 t70 75.48 -49.79 0.63 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.475 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -58.7 -38.87 79.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.33 -177.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.52 ' HB2' ' HA ' ' A' ' 57' ' ' GLU . 29.8 tt0 -87.96 14.41 9.0 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.82 0.343 . . . . 0.0 111.849 -173.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 77.61 -25.07 0.2 Allowed 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 165.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.412 ' C ' HD12 ' A' ' 64' ' ' ILE . . . -129.96 64.01 1.53 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.396 -0.815 . . . . 0.0 112.405 -175.275 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.586 HD13 ' O ' ' A' ' 57' ' ' GLU . 5.2 mp -143.16 -48.06 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-O 121.331 0.586 . . . . 0.0 110.661 177.067 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -64.6 155.77 32.15 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.931 -174.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.78 169.56 42.76 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.829 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -90.08 39.59 0.97 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.625 0.726 . . . . 0.0 109.449 176.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 169.93 92.11 0.08 OUTLIER Glycine 0 N--CA 1.44 -1.091 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.567 -176.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -86.53 20.49 2.45 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.032 0.444 . . . . 0.0 111.297 -175.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -83.43 49.38 4.22 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.648 175.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.3 mt -95.0 -72.45 0.62 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.918 0.39 . . . . 0.0 110.356 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -131.1 73.18 1.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.41 21.54 2.44 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.015 0.436 . . . . 0.0 111.111 -177.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.5 p -97.42 142.94 28.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.612 178.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -94.11 -5.25 47.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.268 0.556 . . . . 0.0 110.369 177.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 61.75 45.77 7.56 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 114.676 -1.147 . . . . 0.0 110.543 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.0 p -79.39 119.96 23.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.802 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -121.32 1.8 10.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.144 0.497 . . . . 0.0 110.054 177.066 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 82' ' ' ARG . 67.4 mttm -132.76 37.23 3.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.051 177.15 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.35 -12.23 59.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.016 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -64.09 -38.06 89.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.49 176.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 37.8 ptt180 -84.87 -1.11 56.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.713 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 67.21 -68.95 0.14 Allowed 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.924 0.765 . . . . 0.0 111.157 -176.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -123.47 -75.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.959 177.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.1 mt . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.559 -178.426 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.3 p . . . . . 0 N--CA 1.442 -0.869 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -51.22 -41.74 60.49 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.665 0.269 . . . . 0.0 111.46 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -66.6 -49.62 65.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.969 -176.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -65.35 -36.43 84.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.105 0.478 . . . . 0.0 109.844 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.579 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 68.2 t80 -71.0 -36.84 72.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.534 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.42 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 11.8 t70 -66.64 -42.2 87.1 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -59.25 -45.32 91.49 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.435 173.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -58.81 -43.53 90.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.191 176.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.579 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 53.0 mtmt -61.34 -46.93 88.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.783 0.325 . . . . 0.0 110.3 178.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -57.86 -47.76 81.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.4 0.619 . . . . 0.0 110.686 176.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.411 ' O ' ' HB3' ' A' ' 35' ' ' SER . 83.7 mtt180 -65.73 -34.01 77.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.196 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.58 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 22.6 ttt180 -73.3 -37.38 66.22 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 177.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.69 -37.35 86.1 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.411 ' HB3' ' O ' ' A' ' 32' ' ' ARG . 44.7 t -58.06 -30.7 66.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.808 175.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.581 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 8.4 mpt_? -97.45 13.42 29.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.349 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.61 27.3 70.75 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.755 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.9 -12.81 69.11 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.397 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -87.57 60.12 5.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.293 0.568 . . . . 0.0 110.492 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.581 ' HB2' ' HB2' ' A' ' 36' ' ' ARG . 14.5 t80 -145.17 98.22 3.13 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.081 -178.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.62 168.22 19.14 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.236 -0.585 . . . . 0.0 109.911 -176.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.06 -33.75 59.92 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.917 0 C-N-CA 120.109 -0.636 . . . . 0.0 110.113 -178.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -66.98 -32.79 74.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.694 0.283 . . . . 0.0 110.779 -177.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -65.04 -39.99 94.15 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 173.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 86.6 t80 . . . . . 0 C--O 1.214 -0.799 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.568 175.914 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.1 p . . . . . 0 N--CA 1.445 -0.704 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -57.8 -34.02 69.18 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.333 -177.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -64.9 -49.35 70.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.737 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -63.9 -40.02 95.53 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.082 0.468 . . . . 0.0 110.151 178.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.585 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 64.0 t80 -67.5 -40.17 85.2 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.25 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.509 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 24.5 t70 -61.64 -45.82 92.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.88 176.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.425 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 33.1 tt0 -57.13 -47.93 79.91 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.563 174.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -53.25 -46.6 69.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.044 176.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.585 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 49.3 mtmt -60.85 -46.71 89.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.344 . . . . 0.0 110.708 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -62.02 -41.82 98.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.418 0.628 . . . . 0.0 110.39 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 38.4 mtp180 -67.33 -38.73 85.35 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.794 178.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.586 ' HA ' ' HB3' ' A' ' 40' ' ' TYR . 15.6 ttt180 -67.6 -39.5 84.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 177.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -61.19 -38.11 85.37 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.911 174.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.8 t -64.26 -23.34 67.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.924 177.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.579 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 5.8 mpt_? -99.38 8.0 45.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.932 178.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.15 29.98 75.98 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.417 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.75 -17.55 57.58 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.451 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.15 60.3 6.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.441 0.638 . . . . 0.0 110.508 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.586 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . 20.0 t80 -148.85 105.25 3.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.512 -178.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.06 170.08 11.85 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 120.021 -0.671 . . . . 0.0 109.575 178.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.27 -26.7 27.36 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.29 0 C-N-CA 119.739 -0.785 . . . . 0.0 110.433 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -62.28 -36.49 82.25 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 176.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -63.49 -44.88 93.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.445 173.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 82.6 t80 . . . . . 0 C--O 1.22 -0.466 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.434 176.176 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.4 p . . . . . 0 N--CA 1.445 -0.679 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -66.74 -15.74 63.76 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.853 0.359 . . . . 0.0 110.651 178.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -82.46 -53.67 5.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.438 176.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -59.68 -40.38 87.62 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.424 0.63 . . . . 0.0 110.154 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.577 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 52.3 t80 -69.4 -34.08 73.97 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.7 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -65.75 -44.2 86.63 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.597 ' HA ' ' CE ' ' A' ' 31' ' ' LYS . 24.0 tp10 -58.11 -42.67 86.22 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.782 174.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.425 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 34.7 t80 -59.93 -43.92 94.66 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.223 176.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.577 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 51.2 mtmt -63.01 -48.49 78.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.496 0.189 . . . . 0.0 110.599 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.597 ' CE ' ' HA ' ' A' ' 28' ' ' GLU . 49.2 mtmt -54.96 -46.92 75.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.545 0.688 . . . . 0.0 110.076 177.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.523 ' O ' ' HD2' ' A' ' 36' ' ' ARG . 63.9 mtt180 -62.74 -47.68 82.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.413 178.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.517 ' HD2' ' O ' ' A' ' 40' ' ' TYR . 25.0 ttt180 -62.83 -40.42 97.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.891 -178.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -61.28 -40.88 95.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.013 0.435 . . . . 0.0 110.309 176.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.0 t -64.22 -28.44 69.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.715 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.523 ' HD2' ' O ' ' A' ' 32' ' ' ARG . 2.5 mpt_? -89.92 10.19 24.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.007 177.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.09 20.71 78.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.699 177.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.86 -7.46 76.85 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.199 -178.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -94.05 67.01 3.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.295 0.569 . . . . 0.0 110.202 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.517 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 20.2 t80 -150.78 101.94 2.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.76 -176.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.27 167.5 21.75 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.454 -179.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.425 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . 1.4 tp -66.73 -35.43 74.76 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.136 178.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -68.46 -28.61 67.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 123.148 0.28 . . . . 0.0 110.578 -177.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -65.97 -36.09 82.38 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 172.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 82.5 t80 . . . . . 0 C--O 1.219 -0.513 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.572 175.729 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.445 -0.71 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -54.42 -39.72 67.6 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 123.002 0.188 . . . . 0.0 111.426 -175.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.19 -38.8 88.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.603 0.24 . . . . 0.0 111.452 -177.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -73.01 -46.26 53.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.315 0.579 . . . . 0.0 109.703 177.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.556 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 59.9 t80 -64.91 -33.04 75.08 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.3 -178.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.03 -45.78 76.44 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.761 177.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -57.23 -44.12 83.5 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 174.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' A' ' 26' ' ' TYR . 23.6 t80 -56.7 -45.51 81.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.2 175.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.556 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 54.1 mtmt -61.49 -46.8 88.48 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 120.735 0.303 . . . . 0.0 110.741 178.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -59.14 -44.82 92.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.331 0.586 . . . . 0.0 110.333 177.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.403 ' O ' ' HD2' ' A' ' 36' ' ' ARG . 98.8 mtt180 -65.33 -42.77 92.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.052 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.563 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 15.0 ttt180 -63.0 -39.03 93.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.257 178.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -62.73 -37.85 88.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.289 174.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.6 t -69.75 -26.11 64.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.853 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.533 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 5.9 mpt_? -91.75 6.45 45.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.948 176.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.49 26.55 73.96 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.83 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.94 -20.95 47.64 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.599 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.19 62.92 7.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.427 0.632 . . . . 0.0 110.671 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.563 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 16.4 t80 -144.33 102.51 3.85 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.522 -179.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.81 171.55 13.01 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 120.454 -0.498 . . . . 0.0 109.947 178.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -70.67 -31.15 45.11 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.958 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.46 -177.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.89 -37.97 80.91 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.141 -0.224 . . . . 0.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.422 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 4.9 t70 -68.34 -36.59 79.48 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.464 ' HA ' ' OH ' ' A' ' 40' ' ' TYR . 78.7 t80 . . . . . 0 C--O 1.221 -0.399 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.928 173.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.5 p . . . . . 0 N--CA 1.448 -0.574 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -58.08 -39.41 78.48 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 121.233 -0.187 . . . . 0.0 111.179 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -69.21 -45.91 68.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.368 -178.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.47 -44.83 96.4 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.357 0.599 . . . . 0.0 109.619 176.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.564 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 59.4 t80 -66.97 -36.76 82.9 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.653 -178.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.485 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 33.5 t70 -64.66 -42.93 95.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.984 0.421 . . . . 0.0 110.254 177.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -61.79 -44.26 97.21 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.22 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -56.83 -44.77 82.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.89 174.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.564 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 56.1 mtmt -59.8 -51.02 71.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.622 0.248 . . . . 0.0 110.632 178.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -54.68 -46.79 74.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.456 0.646 . . . . 0.0 110.594 177.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -67.42 -37.46 83.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.366 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.59 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 17.9 ttt180 -70.24 -39.15 75.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.562 178.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.64 -41.31 94.64 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.5 t -59.89 -36.54 77.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.694 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.601 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 6.5 mpt_? -87.59 12.99 11.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.561 179.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.52 34.43 89.1 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.552 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.8 -19.66 19.52 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.23 -0.509 . . . . 0.0 112.21 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -83.73 57.05 3.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.321 0.582 . . . . 0.0 111.241 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.601 ' HB2' ' HB2' ' A' ' 36' ' ' ARG . 16.5 t80 -137.23 102.28 4.77 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.667 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.66 164.55 25.2 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.657 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -66.21 -31.68 54.71 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.166 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.741 178.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -67.45 -29.47 68.95 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.304 -176.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -67.66 -43.97 78.97 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 173.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 90.7 t80 . . . . . 0 C--O 1.216 -0.688 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.326 175.63 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.5 p . . . . . 0 N--CA 1.442 -0.84 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -57.88 -34.11 69.43 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.549 0.214 . . . . 0.0 111.197 -177.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 25' ' ' GLU . 9.5 pt-20 -70.81 -45.83 63.92 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.756 -0.202 . . . . 0.0 111.02 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.468 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 21.7 mt-10 -67.82 -41.12 83.55 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.557 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 73.5 t80 -66.85 -36.35 82.13 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.441 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -63.94 -46.11 86.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.213 0.53 . . . . 0.0 109.98 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -62.57 -37.8 87.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.734 177.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 45' ' ' TYR . 15.4 t80 -63.48 -43.07 98.34 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.726 174.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.557 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 50.2 mtmt -60.11 -42.26 94.35 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 177.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -62.69 -48.28 79.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.465 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -65.0 -33.46 76.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.975 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.64 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 50.0 ttt180 -74.47 -35.67 63.29 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.366 177.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -63.86 -35.51 80.89 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 173.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.0 t -63.33 -17.19 62.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.884 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.567 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 4.8 mpt_? -112.32 17.65 19.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 178.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.88 15.31 64.53 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.909 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.86 -16.22 54.67 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.05 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -88.8 62.94 6.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.607 0.717 . . . . 0.0 110.815 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.64 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 27.2 t80 -142.18 104.88 4.52 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.999 -1.0 . . . . 0.0 108.616 -177.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.06 166.36 19.82 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.751 -175.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.8 tp -61.74 -33.97 60.11 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.891 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.226 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -63.78 -33.28 75.31 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.951 0.405 . . . . 0.0 110.686 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -70.65 -33.52 71.05 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.474 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 83.2 t80 . . . . . 0 C--O 1.222 -0.367 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.97 172.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.5 p . . . . . 0 N--CA 1.445 -0.693 0 CA-C-O 120.877 0.37 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -67.81 -15.8 63.8 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 120.79 0.329 . . . . 0.0 110.117 177.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -83.02 -55.92 4.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.355 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -57.15 -40.96 78.27 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 121.335 0.588 . . . . 0.0 109.933 178.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.524 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 59.0 t80 -69.81 -34.63 73.97 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.929 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.484 ' OD2' ' HE3' ' A' ' 31' ' ' LYS . 36.6 t70 -68.64 -41.61 79.17 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -58.9 -47.2 85.82 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.424 173.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -56.56 -41.83 77.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.999 176.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 41.7 mtmt -63.96 -46.96 82.31 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.311 -0.156 . . . . 0.0 110.844 178.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.484 ' HE3' ' OD2' ' A' ' 27' ' ' ASP . 94.8 mttt -58.35 -43.45 88.35 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.51 0.672 . . . . 0.0 110.049 178.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -65.03 -48.26 74.48 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.01 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.562 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 19.8 ttt180 -64.2 -32.99 74.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.96 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -63.7 -41.38 98.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.217 0.532 . . . . 0.0 109.84 175.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.5 t -63.55 -32.58 74.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.834 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.583 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 6.9 mpt_? -88.09 6.98 33.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.14 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.48 26.48 73.62 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.712 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.34 -17.77 58.67 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.853 -177.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -84.41 57.73 4.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.423 0.63 . . . . 0.0 110.741 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.583 ' HB2' ' HB2' ' A' ' 36' ' ' ARG . 20.8 t80 -141.66 104.8 4.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.345 -178.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.79 166.7 19.78 Favored 'General case' 0 C--N 1.312 -1.052 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.095 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -66.1 -31.12 52.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.371 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -65.77 -37.51 86.54 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.48 0.178 . . . . 0.0 111.48 -176.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.549 ' OD2' ' HE1' ' A' ' 40' ' ' TYR . 5.2 t70 -64.92 -32.48 74.21 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 175.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 94.0 t80 . . . . . 0 C--O 1.217 -0.653 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.525 174.028 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.7 p . . . . . 0 N--CA 1.438 -1.038 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -56.41 -33.04 65.42 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 118.201 0.455 . . . . 0.0 110.374 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -66.86 -54.94 17.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.435 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.92 -36.06 82.71 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.932 0.396 . . . . 0.0 110.217 -178.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.542 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 56.0 t80 -70.66 -33.94 71.49 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.291 178.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -65.66 -45.65 82.13 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 177.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -58.0 -42.87 86.11 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.529 173.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -58.92 -45.47 90.28 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.011 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.542 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 50.4 mtmt -60.68 -48.64 80.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.005 0.431 . . . . 0.0 109.962 176.177 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -56.07 -44.89 79.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.966 177.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -70.32 -38.78 74.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.132 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.556 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 27.7 ttt180 -69.09 -35.83 76.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.408 177.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.67 -40.04 90.63 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.078 175.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -60.98 -34.12 74.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.428 177.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.541 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 7.4 mpt_? -87.84 5.94 37.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.305 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.83 21.7 76.7 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.453 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.19 -19.58 50.89 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.085 -177.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -83.04 61.78 6.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.067 0.46 . . . . 0.0 110.767 -178.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.556 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 22.1 t80 -148.54 103.77 3.44 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.907 -177.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.34 167.79 19.1 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.588 0.709 . . . . 0.0 111.163 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.436 HD12 ' HA ' ' A' ' 42' ' ' ILE . 3.5 tp -67.16 -22.81 29.65 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.036 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.911 178.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -73.79 -33.07 64.06 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.17 -0.212 . . . . 0.0 110.751 -177.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -70.15 -37.49 75.25 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 175.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 59.7 t80 . . . . . 0 C--O 1.222 -0.347 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.44 174.346 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.9 p . . . . . 0 N--CA 1.443 -0.787 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -58.46 -34.8 71.27 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.307 178.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.77 -51.71 45.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.005 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -61.71 -42.54 99.08 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.24 0.543 . . . . 0.0 110.201 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.624 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 57.4 t80 -66.43 -36.55 83.07 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.324 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -64.26 -45.92 86.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.403 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -62.14 -38.51 89.23 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.431 176.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.407 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 41.3 t80 -61.46 -44.23 97.47 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.582 176.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.624 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 49.1 mtmt -63.5 -45.47 90.54 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.252 0.549 . . . . 0.0 109.775 176.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -54.78 -45.47 74.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.507 176.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -70.41 -43.08 70.74 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.742 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.556 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 40.8 ttt180 -66.39 -32.76 74.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.466 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -61.17 -40.75 95.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.544 174.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.7 t -63.61 -28.47 69.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.602 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.544 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 7.0 mpt_? -93.73 11.77 27.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.196 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.04 27.87 73.21 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.623 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.27 -14.69 63.97 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.139 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -90.86 72.1 6.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.241 0.543 . . . . 0.0 111.158 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.556 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 33.5 t80 -150.48 105.16 3.29 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.509 -177.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.36 163.24 27.66 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.366 0.603 . . . . 0.0 111.016 -178.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.407 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -69.25 -31.23 48.96 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.976 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.627 178.539 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -70.22 -28.77 65.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 -177.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -63.69 -44.14 94.54 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 172.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 90.0 t80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.983 176.831 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.7 p . . . . . 0 N--CA 1.44 -0.947 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -58.56 -38.25 77.43 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 120.512 0.196 . . . . 0.0 111.321 -176.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -69.7 -47.52 62.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.559 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -62.48 -40.94 98.29 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 121.23 0.538 . . . . 0.0 109.733 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.582 ' CE2' ' HD2' ' A' ' 30' ' ' LYS . 62.1 t80 -69.06 -39.92 78.84 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.713 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.507 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 25.5 t70 -58.93 -46.58 87.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.19 0.519 . . . . 0.0 109.933 176.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -60.47 -47.49 85.88 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.935 177.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.46 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 45.6 t80 -54.4 -43.82 71.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.1 176.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.582 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 21.7 mtpp -62.09 -51.35 68.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.872 178.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -58.01 -37.98 75.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.282 0.563 . . . . 0.0 110.528 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -68.87 -48.69 62.79 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.095 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.528 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 21.3 ttt180 -64.51 -35.83 82.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.636 -178.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.52 -40.0 93.07 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.104 175.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.8 t -66.59 -30.03 70.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.778 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.518 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 6.3 mpt_? -89.93 8.2 33.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.288 178.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.75 29.11 74.22 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.536 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.39 -23.3 34.33 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.492 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.0 mttt -83.25 63.52 7.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.431 0.634 . . . . 0.0 110.902 -178.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.528 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 26.5 t80 -146.48 96.75 2.82 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.208 -0.906 . . . . 0.0 108.967 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.31 167.26 21.99 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.25 -177.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.46 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . 3.0 tp -62.76 -34.42 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.607 177.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -62.75 -40.41 97.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.196 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -59.39 -32.04 69.79 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.429 0.633 . . . . 0.0 109.613 176.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 86.2 t80 . . . . . 0 C--O 1.216 -0.68 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.013 176.68 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.4 p . . . . . 0 N--CA 1.439 -1.009 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -55.79 -39.61 71.54 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 120.559 0.218 . . . . 0.0 111.018 -178.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -69.27 -40.87 77.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.751 -177.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -66.46 -43.29 85.9 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 176.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.569 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 61.8 t80 -67.44 -37.85 83.62 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.666 -178.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -63.27 -45.89 89.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.015 0.436 . . . . 0.0 109.979 176.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.432 ' HA ' ' CE ' ' A' ' 31' ' ' LYS . 53.8 tt0 -58.17 -43.78 87.65 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.472 175.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -57.95 -46.49 85.01 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.216 176.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.569 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 47.8 mtmt -60.08 -49.11 78.94 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 120.555 0.217 . . . . 0.0 110.961 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.432 ' CE ' ' HA ' ' A' ' 28' ' ' GLU . 40.5 mtmt -60.12 -41.24 92.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.597 178.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -64.17 -45.07 90.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.903 176.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.549 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 54.7 ttt180 -64.58 -34.18 77.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.484 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -64.58 -39.78 94.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.3 175.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.9 m -64.46 -21.39 66.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.064 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.52 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 3.0 mpt_? -100.75 9.22 42.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.843 178.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.67 30.21 77.32 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.611 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.6 -21.63 40.01 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.163 -178.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -80.03 63.44 4.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.936 0.398 . . . . 0.0 110.757 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.549 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 23.6 t80 -149.98 101.52 3.03 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 -177.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.5 163.9 26.48 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.385 -177.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.5 tp -60.42 -35.5 63.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.872 176.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -62.98 -38.85 92.78 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 120.85 0.357 . . . . 0.0 111.083 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -60.03 -40.86 90.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.643 176.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 81.6 t80 . . . . . 0 C--O 1.215 -0.75 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.713 175.888 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.6 p . . . . . 0 N--CA 1.441 -0.902 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.05 -32.42 69.75 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.737 0.303 . . . . 0.0 110.997 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -79.67 -38.8 32.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.657 -176.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -67.62 -41.37 84.04 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 175.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.445 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 49.9 t80 -68.94 -31.07 69.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.563 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.471 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 24.1 t70 -69.01 -45.03 71.54 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 176.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -56.53 -46.0 80.84 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.355 173.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.44 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 62.9 t80 -57.95 -44.05 86.75 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.068 176.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.471 ' CE ' ' HA ' ' A' ' 27' ' ' ASP . 57.1 mtmt -62.66 -49.93 73.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.498 0.189 . . . . 0.0 111.075 178.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -59.02 -42.43 90.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.17 0.51 . . . . 0.0 110.351 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.517 ' O ' ' HD2' ' A' ' 36' ' ' ARG . 78.7 mtt180 -63.15 -51.36 66.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.991 175.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.522 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 41.0 ttt180 -62.64 -38.64 91.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.422 -176.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.32 -41.51 97.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.917 0.389 . . . . 0.0 110.066 176.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.9 t -63.05 -34.48 77.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.541 178.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.524 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 1.1 mpt_? -85.65 12.74 8.18 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.484 179.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.58 28.39 73.56 Favored Glycine 0 CA--C 1.517 0.16 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.675 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.06 -18.24 46.02 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.251 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -83.5 57.8 4.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.365 0.602 . . . . 0.0 110.587 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.524 ' HB2' ' HB2' ' A' ' 36' ' ' ARG . 18.0 t80 -139.37 102.29 4.45 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.359 -178.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.15 165.63 20.36 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.077 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.44 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -66.67 -34.1 67.81 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.096 -176.577 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -63.09 -36.06 82.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.592 0.234 . . . . 0.0 110.736 -176.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.418 ' OD1' ' HE1' ' A' ' 40' ' ' TYR . 4.0 t70 -64.84 -34.87 79.39 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.885 -0.784 . . . . 0.0 108.885 176.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.406 ' HA ' ' OH ' ' A' ' 40' ' ' TYR . 87.3 t80 . . . . . 0 C--O 1.222 -0.366 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.482 174.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.8 p . . . . . 0 N--CA 1.442 -0.853 0 N-CA-C 110.475 -0.195 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -58.37 -37.65 75.65 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 121.094 -0.242 . . . . 0.0 111.583 -176.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -65.59 -52.72 50.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.712 0.292 . . . . 0.0 110.987 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -59.8 -46.67 88.49 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.247 0.546 . . . . 0.0 110.027 178.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.475 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 51.6 t80 -65.2 -28.56 69.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.867 -178.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.426 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 27.8 t70 -73.68 -41.0 63.25 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -64.04 -37.3 86.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.551 0.691 . . . . 0.0 109.237 173.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.404 ' HB3' ' HA ' ' A' ' 26' ' ' TYR . 19.4 t80 -64.05 -46.99 81.91 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.836 -1.074 . . . . 0.0 110.833 175.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 57.3 mtmt -59.51 -46.72 88.0 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 121.1 0.476 . . . . 0.0 109.784 175.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -53.09 -54.38 36.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.653 176.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.415 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 91.4 mtt180 -63.33 -37.67 88.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.503 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.59 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 19.9 ttt180 -72.67 -31.38 65.03 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.418 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -64.34 -41.09 96.96 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 174.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.1 m -60.82 -18.45 55.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.582 177.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.5 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 7.0 mpt_? -108.91 9.2 26.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.309 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.21 32.45 80.68 Favored Glycine 0 C--N 1.329 0.165 0 C-N-CA 121.1 -0.571 . . . . 0.0 112.483 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.19 -19.75 52.64 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.254 -178.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -79.67 55.97 2.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.314 0.578 . . . . 0.0 111.028 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.59 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 18.9 t80 -147.46 102.05 3.42 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -178.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.48 172.45 10.99 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.211 -178.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.5 tp -60.89 -33.5 55.77 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.156 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.75 -39.92 94.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.658 0.266 . . . . 0.0 111.111 -178.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.43 -38.31 83.67 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.45 0.643 . . . . 0.0 109.316 175.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.401 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 93.0 t80 . . . . . 0 C--O 1.215 -0.717 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.453 176.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.5 p . . . . . 0 N--CA 1.443 -0.81 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -56.89 -39.2 73.95 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.513 0.197 . . . . 0.0 111.19 -177.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -68.09 -40.9 82.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.653 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -64.25 -47.86 78.02 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.333 0.587 . . . . 0.0 109.764 176.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.591 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 70.0 t80 -64.33 -37.92 89.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.866 -177.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.509 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 36.2 t70 -62.97 -43.93 97.44 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.21 178.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -62.05 -44.63 96.27 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.552 0.691 . . . . 0.0 109.709 176.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -57.31 -42.08 81.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.165 176.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.591 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 50.3 mtmt -61.76 -50.59 71.78 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 120.857 0.361 . . . . 0.0 110.238 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -55.25 -45.75 76.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.516 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.56 ' O ' ' HD2' ' A' ' 36' ' ' ARG . 98.7 mtt180 -64.29 -44.96 90.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.113 178.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.581 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 13.4 ttt180 -63.9 -41.79 97.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -62.91 -39.41 94.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.917 0.389 . . . . 0.0 110.276 175.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.0 t -61.84 -28.28 69.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.578 177.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.59 ' HD3' ' CD1' ' A' ' 40' ' ' TYR . 2.1 mpt_? -94.81 16.55 15.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 177.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.29 25.79 71.35 Favored Glycine 0 C--N 1.333 0.397 0 C-N-CA 121.376 -0.44 . . . . 0.0 112.874 177.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.96 -15.28 62.21 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.07 -178.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -86.93 69.68 10.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.101 0.476 . . . . 0.0 110.378 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.59 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 13.9 t80 -152.87 107.04 3.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.824 -177.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.89 165.92 21.37 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.489 -0.485 . . . . 0.0 110.657 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -64.58 -33.41 62.93 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.004 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.937 176.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.79 -37.42 86.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.978 0.418 . . . . 0.0 110.311 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -65.14 -33.89 77.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.708 175.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 84.9 t80 . . . . . 0 C--O 1.218 -0.59 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.284 174.035 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.4 p . . . . . 0 N--CA 1.443 -0.812 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -56.87 -38.72 73.12 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.619 0.247 . . . . 0.0 111.017 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -69.26 -46.56 66.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 -178.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -59.75 -48.5 81.42 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.431 0.634 . . . . 0.0 109.971 176.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.587 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 60.3 t80 -63.71 -33.34 75.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.708 -177.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.465 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 33.4 t70 -69.82 -42.73 73.25 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.332 178.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -60.92 -40.76 94.41 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 174.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -60.72 -47.47 86.14 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.867 175.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.587 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 58.4 mtmt -59.93 -48.01 83.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.207 0.527 . . . . 0.0 109.776 176.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -52.31 -48.03 65.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.764 176.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -69.52 -39.92 77.25 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.644 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.605 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 14.8 ttt180 -67.89 -40.33 83.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.08 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -62.24 -37.2 84.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.948 0.404 . . . . 0.0 109.997 175.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.0 t -66.13 -22.29 66.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.728 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.552 ' HD3' ' CD1' ' A' ' 40' ' ' TYR . 5.7 mpt_? -99.19 12.2 36.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.846 0.355 . . . . 0.0 110.721 176.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.61 26.0 73.81 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 121.132 -0.556 . . . . 0.0 112.842 178.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.97 -9.6 76.25 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.43 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.0 68.96 4.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.477 0.656 . . . . 0.0 109.992 178.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.605 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 20.1 t80 -152.48 101.44 2.66 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.025 -177.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.59 168.45 19.76 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.191 -177.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.33 -32.55 56.9 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.897 0 C-N-CA 120.306 -0.558 . . . . 0.0 109.882 177.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.34 -35.91 82.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.65 0.262 . . . . 0.0 110.953 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -63.31 -32.77 74.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.396 0.617 . . . . 0.0 109.444 174.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 90.3 t80 . . . . . 0 C--O 1.216 -0.697 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.543 175.432 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.4 p . . . . . 0 N--CA 1.444 -0.748 0 N-CA-C 110.584 -0.154 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -58.24 -36.76 73.68 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.205 -176.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.5 -43.7 72.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.755 -0.202 . . . . 0.0 111.265 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -63.19 -45.34 92.2 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.106 0.479 . . . . 0.0 109.828 177.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.515 ' CE2' ' HD2' ' A' ' 30' ' ' LYS . 62.6 t80 -67.39 -40.55 85.68 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.522 -178.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.475 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 24.3 t70 -61.43 -45.73 93.06 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -59.75 -49.47 77.61 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.886 176.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.406 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 11.9 t80 -49.69 -46.74 50.32 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.191 174.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.515 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 21.6 mtpp -61.43 -46.46 90.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.288 178.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -63.62 -40.13 96.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.415 0.626 . . . . 0.0 110.394 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -67.77 -39.5 84.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.635 177.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.592 ' HA ' ' HB3' ' A' ' 40' ' ' TYR . 30.5 ttt180 -67.38 -35.57 79.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.387 176.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -61.06 -40.04 92.15 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.078 176.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.9 m -66.8 -18.09 65.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.401 179.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.538 ' HD3' ' CD1' ' A' ' 40' ' ' TYR . 4.8 mpt_? -102.79 11.67 37.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.636 177.039 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.32 30.91 77.49 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.405 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.34 -21.62 39.51 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.425 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -79.53 61.93 3.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.201 0.524 . . . . 0.0 111.403 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.592 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . 25.1 t80 -154.59 94.92 1.73 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.523 -0.762 . . . . 0.0 108.967 -175.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.4 p -76.8 174.31 10.65 Favored 'General case' 0 CA--C 1.492 -1.275 0 C-N-CA 119.3 -0.96 . . . . 0.0 111.093 -176.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.406 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . 5.1 tp -59.43 -35.47 58.84 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.784 0 CA-C-N 114.563 -1.199 . . . . 0.0 109.571 177.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -66.33 -39.56 89.34 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.271 -178.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -60.78 -33.38 72.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.402 0.62 . . . . 0.0 109.434 177.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 89.6 t80 . . . . . 0 C--O 1.214 -0.782 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.243 175.104 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.3 p . . . . . 0 N--CA 1.445 -0.724 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -55.71 -41.87 74.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.486 0.184 . . . . 0.0 111.209 -175.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -62.19 -47.69 83.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.412 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -61.05 -47.8 84.72 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.401 0.62 . . . . 0.0 109.893 178.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.518 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 67.7 t80 -63.68 -31.23 72.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.59 -178.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.474 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 25.4 t70 -67.45 -45.84 74.83 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.179 177.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -60.85 -41.81 96.6 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 175.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -57.28 -44.77 84.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.159 175.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 57.7 mtmt -61.6 -47.83 83.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.033 0.444 . . . . 0.0 110.739 178.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -60.12 -37.84 81.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.676 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -72.87 -37.53 67.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.126 177.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.577 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 35.5 ttt180 -69.97 -36.11 74.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.671 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -60.02 -43.8 95.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.033 173.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.0 t -58.33 -32.34 68.41 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.208 178.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.593 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 9.0 mpt_? -91.58 8.4 36.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.175 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.28 29.01 73.81 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 121.202 -0.523 . . . . 0.0 112.471 179.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.38 -27.72 16.07 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.18 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -81.81 70.38 8.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.396 0.617 . . . . 0.0 110.72 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.593 ' HB2' ' HB2' ' A' ' 36' ' ' ARG . 30.6 t80 -146.81 108.03 4.23 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.478 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.42 173.13 12.31 Favored 'General case' 0 CA--C 1.499 -0.997 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.569 178.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -71.82 -27.09 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.507 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.082 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.94 -35.16 77.95 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.637 -176.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.461 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 5.9 t70 -69.14 -34.37 74.91 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 177.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 91.4 t80 . . . . . 0 C--O 1.213 -0.845 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.237 173.459 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.8 p . . . . . 0 N--CA 1.444 -0.753 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.23 -34.04 70.0 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.415 -176.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -65.74 -52.4 51.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 111.055 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -62.66 -43.58 98.46 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.334 0.588 . . . . 0.0 110.34 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.52 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 55.6 t80 -67.29 -29.15 68.66 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.367 -179.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.446 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 36.8 t70 -69.51 -45.77 68.13 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 177.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.452 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 18.3 tp10 -58.94 -43.95 91.3 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 175.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -56.49 -44.68 80.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.018 174.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 56.9 mtmt -62.77 -46.55 87.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.527 0.203 . . . . 0.0 111.018 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.452 ' HE2' ' HA ' ' A' ' 28' ' ' GLU . 43.8 mtmt -60.3 -45.81 92.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.214 0.53 . . . . 0.0 110.202 177.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.408 ' O ' ' HB3' ' A' ' 35' ' ' SER . 77.6 mtt180 -60.98 -40.67 94.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.143 177.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.563 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 20.2 ttt180 -70.2 -33.04 71.21 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.411 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -64.21 -39.69 94.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.235 0.541 . . . . 0.0 109.694 171.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.408 ' HB3' ' O ' ' A' ' 32' ' ' ARG . 32.3 t -61.14 -23.78 65.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.741 178.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.557 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 9.5 mpt_? -104.34 10.59 35.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.263 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.53 30.56 74.85 Favored Glycine 0 CA--C 1.518 0.227 0 C-N-CA 121.079 -0.582 . . . . 0.0 112.509 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.57 -25.18 28.98 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.633 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.89 65.37 7.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.336 0.588 . . . . 0.0 110.972 -178.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.563 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 35.7 t80 -145.96 109.87 4.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.045 -179.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.48 164.52 16.11 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.134 -179.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' A' ' 42' ' ' ILE . 3.1 tp -62.96 -29.57 47.49 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.419 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.85 -42.3 97.61 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.317 0.103 . . . . 0.0 111.118 -177.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.429 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 7.8 t70 -61.06 -37.27 82.05 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 178.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 92.0 t80 . . . . . 0 N--CA 1.448 -0.525 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.194 174.036 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 45.9 p . . . . . 0 N--CA 1.441 -0.918 0 N-CA-C 110.21 -0.292 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -51.16 -42.38 60.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 123.242 0.339 . . . . 0.0 111.79 -173.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -63.09 -47.55 82.39 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 111.697 0.258 . . . . 0.0 111.697 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -63.63 -42.7 98.14 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 121.184 0.516 . . . . 0.0 109.974 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.659 ' CE2' ' HD2' ' A' ' 30' ' ' LYS . 74.6 t80 -66.83 -39.23 87.58 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.43 -179.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.531 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 23.1 t70 -59.41 -47.15 86.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.151 0.5 . . . . 0.0 110.217 175.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.5 ' HA ' ' CE ' ' A' ' 31' ' ' LYS . 41.1 tt0 -61.28 -44.79 96.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.66 178.06 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.469 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 37.2 t80 -55.08 -45.94 75.42 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.924 -1.034 . . . . 0.0 111.088 174.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.659 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 22.3 mtpp -61.26 -48.25 82.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.934 178.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.5 ' CE ' ' HA ' ' A' ' 28' ' ' GLU . 52.7 mtmt -59.08 -45.02 91.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.177 0.513 . . . . 0.0 110.275 177.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.467 ' O ' ' HD2' ' A' ' 36' ' ' ARG . 84.9 mtt180 -61.19 -48.78 79.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.15 176.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.557 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 33.8 ttt180 -62.44 -37.38 85.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.691 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.63 -45.69 91.22 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.049 174.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 70.9 m -63.91 -29.47 70.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.887 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.498 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 3.4 mpt_? -88.44 14.59 9.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 111.011 177.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.34 27.89 72.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.466 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.46 -23.24 33.02 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 121.178 -0.534 . . . . 0.0 112.056 -178.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.93 71.32 10.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.335 0.588 . . . . 0.0 110.833 -177.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.557 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 21.9 t80 -152.45 99.05 2.45 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.45 169.07 18.94 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.987 -178.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.469 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . 5.6 tp -62.52 -37.43 78.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 177.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -62.49 -37.8 87.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.258 -177.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -57.88 -43.35 85.97 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.364 0.602 . . . . 0.0 109.469 175.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 82.7 t80 . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.573 177.268 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.1 p . . . . . 0 N--CA 1.442 -0.871 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -54.64 -39.77 68.33 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.413 0.149 . . . . 0.0 111.265 -174.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.61 -50.36 72.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.356 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -61.74 -45.68 92.87 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.24 0.543 . . . . 0.0 110.191 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.581 ' CE2' ' HD2' ' A' ' 30' ' ' LYS . 75.3 t80 -63.82 -37.18 86.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.515 -178.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.543 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 33.6 t70 -60.64 -45.36 94.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.455 176.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -62.13 -45.46 93.36 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.663 177.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.402 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 38.3 t80 -55.24 -44.44 75.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.111 176.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.581 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 22.9 mtpp -60.13 -49.29 78.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.74 177.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -56.89 -44.01 81.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.44 0.638 . . . . 0.0 110.322 178.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -68.93 -42.33 76.91 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.361 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.568 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 39.4 ttt180 -65.4 -37.76 87.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.844 179.048 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -61.93 -42.78 99.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.047 0.451 . . . . 0.0 110.139 175.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.7 t -60.69 -38.69 85.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.998 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.547 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 3.5 mpt_? -81.37 4.07 22.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.797 0.332 . . . . 0.0 111.331 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.42 31.65 63.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.551 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.32 -17.57 42.38 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.189 -0.529 . . . . 0.0 111.936 -179.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -85.2 63.24 7.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.354 0.597 . . . . 0.0 110.174 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.568 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 16.2 t80 -146.01 103.87 3.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.639 -178.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.86 169.28 18.46 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.681 179.02 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.402 ' HA ' ' CE1' ' A' ' 29' ' ' PHE . 3.1 tp -69.11 -34.53 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.117 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -66.78 -34.1 77.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.732 0.301 . . . . 0.0 110.915 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -64.3 -35.36 80.61 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 174.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.498 ' HA ' ' OH ' ' A' ' 40' ' ' TYR . 81.9 t80 . . . . . 0 C--O 1.221 -0.441 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.067 173.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.652 0 N-CA-C 111.888 -0.485 . . . . 0.0 111.888 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.422 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -155.27 146.65 16.78 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 179.426 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 12' ' ' ARG . 2.7 Cg_endo -79.55 63.3 8.71 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.764 2.309 . . . . 0.0 112.26 -178.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.23 98.21 2.35 Favored Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.6 m -59.85 -38.63 77.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.034 0.445 . . . . 0.0 110.888 -178.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -136.01 118.67 16.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.42 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.511 ' HD3' ' N ' ' A' ' 17' ' ' ARG . 0.8 OUTLIER -97.54 174.88 6.44 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.585 -0.446 . . . . 0.0 109.921 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.421 ' O ' ' HB3' ' A' ' 19' ' ' ARG . 3.7 p -140.68 -33.99 0.53 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 178.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.421 ' HB3' ' O ' ' A' ' 18' ' ' THR . 54.5 ttt180 70.03 -56.03 0.59 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.423 0.689 . . . . 0.0 111.005 -174.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.07 56.87 0.03 OUTLIER Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 110.148 -1.181 . . . . 0.0 110.148 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.631 ' HG ' ' HB2' ' A' ' 25' ' ' GLU . 1.2 mp -93.93 117.43 30.09 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 121.264 0.554 . . . . 0.0 110.971 -175.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.3 p -80.98 175.53 10.61 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.803 175.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -51.22 -41.74 60.49 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.665 0.269 . . . . 0.0 111.46 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -66.6 -49.62 65.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.969 -176.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.631 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 13.3 mm-40 -65.35 -36.43 84.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.105 0.478 . . . . 0.0 109.844 179.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.579 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 68.2 t80 -71.0 -36.84 72.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.534 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.42 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 11.8 t70 -66.64 -42.2 87.1 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -59.25 -45.32 91.49 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.435 173.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -58.81 -43.53 90.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.191 176.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.579 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 53.0 mtmt -61.34 -46.93 88.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.783 0.325 . . . . 0.0 110.3 178.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -57.86 -47.76 81.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.4 0.619 . . . . 0.0 110.686 176.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.411 ' O ' ' HB3' ' A' ' 35' ' ' SER . 83.7 mtt180 -65.73 -34.01 77.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.196 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.58 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 22.6 ttt180 -73.3 -37.38 66.22 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 177.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.69 -37.35 86.1 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.411 ' HB3' ' O ' ' A' ' 32' ' ' ARG . 44.7 t -58.06 -30.7 66.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.808 175.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.581 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 8.4 mpt_? -97.45 13.42 29.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.349 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.61 27.3 70.75 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.755 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.9 -12.81 69.11 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.397 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -87.57 60.12 5.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.293 0.568 . . . . 0.0 110.492 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.581 ' HB2' ' HB2' ' A' ' 36' ' ' ARG . 14.5 t80 -145.17 98.22 3.13 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.081 -178.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.62 168.22 19.14 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.236 -0.585 . . . . 0.0 109.911 -176.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.61 HD11 HD22 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -62.06 -33.75 59.92 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.917 0 C-N-CA 120.109 -0.636 . . . . 0.0 110.113 -178.77 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.405 ' HB2' HH21 ' A' ' 17' ' ' ARG . 35.4 t70 -66.98 -32.79 74.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.694 0.283 . . . . 0.0 110.779 -177.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -65.04 -39.99 94.15 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 173.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.412 ' CE2' HD21 ' A' ' 21' ' ' LEU . 86.6 t80 -69.5 -45.58 68.59 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.568 175.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 95.2 mt -62.28 -33.14 74.08 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 122.948 0.499 . . . . 0.0 110.73 -178.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.44 ' O ' ' HB2' ' A' ' 50' ' ' GLU . . . -64.84 -46.76 80.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.892 175.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -79.33 -18.36 52.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.295 0.569 . . . . 0.0 109.742 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.431 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 54.1 ttt85 -68.19 -38.56 82.14 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 173.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 51.3 mm-40 -60.17 -17.83 43.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.463 172.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.627 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 2.1 mmp_? -90.29 -52.65 4.82 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.914 174.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -50.0 -41.02 46.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.327 -176.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 49' ' ' ARG . 31.5 mt-10 -70.97 -34.53 71.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.048 0.451 . . . . 0.0 110.718 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -71.09 -32.4 69.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.828 0.823 . . . . 0.0 109.812 175.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.627 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 56.0 mt -90.12 -4.8 57.1 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.693 -1.14 . . . . 0.0 110.308 -176.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.8 tp -77.22 -24.16 51.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.176 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -134.93 161.2 35.94 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.515 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.446 ' HD2' ' N ' ' A' ' 58' ' ' ARG . 6.5 mpt_? 68.04 165.66 0.24 Allowed 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.557 0.535 . . . . 0.0 111.844 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.516 ' H ' ' HB ' ' A' ' 64' ' ' ILE . 5.2 t70 71.24 -66.48 0.29 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.68 175.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -67.82 -13.54 62.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.257 0.551 . . . . 0.0 111.071 -178.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -79.91 1.17 28.27 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.075 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 74.62 122.98 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.477 0 O-C-N 124.103 0.877 . . . . 0.0 112.275 176.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 71.73 44.36 0.5 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.541 175.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.516 ' HB ' ' H ' ' A' ' 59' ' ' ASP . 5.1 mp -121.67 -31.44 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.315 0.578 . . . . 0.0 110.207 173.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.567 ' CZ ' ' HA ' ' A' ' 69' ' ' PHE . 11.0 p90 -81.11 55.54 2.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.69 0.757 . . . . 0.0 110.982 -178.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 120.31 -159.1 15.28 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.244 -177.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -91.63 -4.97 54.65 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.829 0.347 . . . . 0.0 110.58 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -125.97 -174.77 13.97 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.425 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.567 ' HA ' ' CZ ' ' A' ' 65' ' ' PHE . 42.4 p90 -147.14 29.87 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.977 0.418 . . . . 0.0 110.513 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -56.07 -28.51 53.93 Favored Glycine 0 CA--C 1.518 0.252 0 CA-C-N 115.622 -0.717 . . . . 0.0 113.669 -174.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.9 tp -57.64 -38.85 75.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.812 0.339 . . . . 0.0 111.031 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -126.48 32.44 5.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.122 -178.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.57 132.36 45.37 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.036 178.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.7 p -73.16 80.87 1.28 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.44 0.638 . . . . 0.0 111.157 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -79.78 87.67 5.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.787 179.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -65.95 -48.11 72.43 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.8 t 52.24 67.53 0.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.307 176.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.1 mtm180 -95.0 -8.47 36.76 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.365 0.602 . . . . 0.0 109.896 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -118.2 87.3 2.69 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.748 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -149.23 99.14 2.9 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.488 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -80.26 -22.5 41.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.257 0.551 . . . . 0.0 109.997 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -136.87 80.69 1.83 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.345 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.65 -37.66 87.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.786 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 49.7 mmtm -122.45 123.79 42.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.395 176.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 44.0 tp . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.314 -0.85 . . . . 0.0 110.35 -178.034 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.637 0 N-CA-C 111.858 -0.497 . . . . 0.0 111.858 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 70.05 147.58 0.12 Allowed Pre-proline 0 N--CA 1.467 0.396 0 C-N-CA 123.37 0.668 . . . . 0.0 112.031 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.45 ' O ' ' HD3' ' A' ' 17' ' ' ARG . 85.8 Cg_endo -77.74 46.71 2.11 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.23 2.62 . . . . 0.0 112.604 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.402 ' HA2' ' HB2' ' A' ' 17' ' ' ARG . . . -114.88 8.24 21.62 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 111.393 -0.683 . . . . 0.0 111.393 177.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.8 m -76.75 -38.87 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.893 0.377 . . . . 0.0 111.029 -177.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -120.79 50.74 1.31 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.995 0.902 . . . . 0.0 108.8 176.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.57 ' O ' HG21 ' A' ' 42' ' ' ILE . 6.5 tpt180 -93.01 169.26 10.56 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.285 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.5 p -127.53 148.52 50.33 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.845 0.355 . . . . 0.0 110.308 173.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -127.2 48.5 2.2 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 176.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.35 43.35 88.25 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.238 -174.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.882 HD22 HD11 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -78.09 116.21 18.39 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 120.948 0.404 . . . . 0.0 110.163 -177.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.1 p -70.19 167.56 17.59 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.345 175.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -57.8 -34.02 69.18 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.333 -177.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -64.9 -49.35 70.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.737 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.611 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 24.2 mt-10 -63.9 -40.02 95.53 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.082 0.468 . . . . 0.0 110.151 178.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.585 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 64.0 t80 -67.5 -40.17 85.2 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.25 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.509 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 24.5 t70 -61.64 -45.82 92.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.88 176.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.425 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 33.1 tt0 -57.13 -47.93 79.91 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.563 174.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -53.25 -46.6 69.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.044 176.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.585 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 49.3 mtmt -60.85 -46.71 89.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.344 . . . . 0.0 110.708 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -62.02 -41.82 98.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.418 0.628 . . . . 0.0 110.39 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.521 HH22 ' CG ' ' A' ' 48' ' ' ASP . 38.4 mtp180 -67.33 -38.73 85.35 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.794 178.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.586 ' HA ' ' HB3' ' A' ' 40' ' ' TYR . 15.6 ttt180 -67.6 -39.5 84.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 177.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -61.19 -38.11 85.37 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.911 174.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.8 t -64.26 -23.34 67.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.924 177.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.579 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 5.8 mpt_? -99.38 8.0 45.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.932 178.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.15 29.98 75.98 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.417 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.75 -17.55 57.58 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.451 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.15 60.3 6.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.441 0.638 . . . . 0.0 110.508 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.586 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . 20.0 t80 -148.85 105.25 3.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.512 -178.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.06 170.08 11.85 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 120.021 -0.671 . . . . 0.0 109.575 178.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.882 HD11 HD22 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -71.27 -26.7 27.36 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.29 0 C-N-CA 119.739 -0.785 . . . . 0.0 110.433 -179.655 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -62.28 -36.49 82.25 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 176.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -63.49 -44.88 93.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.445 173.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -62.0 -47.14 86.12 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.434 176.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 87.4 mt -64.9 -31.92 73.38 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.212 -176.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.94 -42.2 85.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.802 176.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.521 ' CG ' HH22 ' A' ' 32' ' ' ARG . 23.3 t70 -77.78 -30.53 51.43 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 176.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.463 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 72.1 ttt-85 -59.93 -43.34 95.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.496 174.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 8.7 mm-40 -51.92 -39.81 59.73 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.658 173.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.577 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 7.6 mtt-85 -75.73 -50.51 15.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.297 -179.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.73 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 32.2 mm-40 -53.93 -46.97 71.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.136 -177.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 49' ' ' ARG . 38.4 mt-10 -55.99 -40.65 73.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.911 0.386 . . . . 0.0 110.732 -178.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -68.79 -37.09 79.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.943 176.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 84.8 mt -87.71 -15.68 36.42 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.232 -0.894 . . . . 0.0 112.201 -170.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.73 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 97.4 mt -72.22 -45.14 61.47 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.897 0.38 . . . . 0.0 110.27 176.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.531 ' HA ' HG12 ' A' ' 64' ' ' ILE . 41.0 mt-10 -83.36 68.42 9.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.987 -177.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.542 ' O ' HD13 ' A' ' 64' ' ' ILE . 84.0 mtp180 -133.88 133.5 41.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.28 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -55.31 -32.63 62.62 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 114.988 -1.005 . . . . 0.0 112.323 -177.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -84.42 -8.93 58.81 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -178.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.81 -68.5 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.708 0.289 . . . . 0.0 111.12 -175.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.421 ' C ' HD12 ' A' ' 64' ' ' ILE . 6.3 tt0 -148.65 -151.06 0.37 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.55 -174.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.43 61.57 4.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.188 0.518 . . . . 0.0 111.858 -174.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.542 HD13 ' O ' ' A' ' 58' ' ' ARG . 5.3 mp -96.24 -24.67 4.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.663 0.744 . . . . 0.0 109.56 176.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -92.53 7.44 43.21 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.888 -178.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 177.58 -155.82 18.46 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.839 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -87.1 -28.71 22.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.202 0.525 . . . . 0.0 110.27 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -143.94 171.77 25.38 Favored Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -124.11 5.19 8.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.88 0.371 . . . . 0.0 110.79 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -79.52 37.9 2.07 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.242 177.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -97.04 71.87 2.47 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.3 mttm 53.79 53.87 10.71 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.93 -179.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -123.51 143.51 50.13 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.632 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 33.2 p -114.66 135.8 53.75 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.949 0.404 . . . . 0.0 110.493 177.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -105.53 0.56 26.74 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.649 0.738 . . . . 0.0 109.261 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -86.14 77.5 9.58 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.243 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.9 t -128.53 60.95 1.49 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.52 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -114.24 -8.26 12.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.504 -175.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -122.32 16.73 10.6 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.682 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.14 -19.51 47.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.801 -177.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -64.0 -43.22 96.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.708 178.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -93.36 59.53 3.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.362 0.601 . . . . 0.0 110.152 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -130.55 9.05 5.03 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.32 177.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' ' 84' ' ' LYS . 3.2 mptp? -118.72 48.05 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.805 -177.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.415 ' H ' HD12 ' A' ' 85' ' ' LEU . 4.6 mp . . . . . 0 C--O 1.247 0.952 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.915 -177.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.489 -0.645 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.595 ' HG2' ' OD1' ' A' ' 43' ' ' ASP . 11.3 tpp180 -104.31 139.02 19.7 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.817 0.308 . . . . 0.0 110.9 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 12' ' ' ARG . 7.8 Cg_exo -69.97 79.7 0.99 Allowed 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 123.081 2.521 . . . . 0.0 111.733 173.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.4 98.97 1.41 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.226 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.4 m -64.79 -26.85 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.128 0.489 . . . . 0.0 110.771 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -142.17 124.57 15.66 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 177.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.488 ' HA ' HG21 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -95.21 -6.13 42.28 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.529 -174.33 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.456 ' O ' HD13 ' A' ' 21' ' ' LEU . 13.3 p -136.37 -63.76 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.384 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.436 ' HD3' HD22 ' A' ' 46' ' ' LEU . 32.9 ttt180 65.13 42.37 4.11 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.35 0.595 . . . . 0.0 109.84 -178.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.01 56.41 22.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.736 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.859 HD22 HD11 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -93.73 115.06 27.48 Favored 'General case' 0 CA--C 1.511 -0.519 0 CA-C-O 120.644 0.259 . . . . 0.0 110.332 176.601 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.4 p -74.05 177.47 5.67 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.283 175.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -66.74 -15.74 63.76 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.853 0.359 . . . . 0.0 110.651 178.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -82.46 -53.67 5.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.438 176.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.566 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 38.0 mm-40 -59.68 -40.38 87.62 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.424 0.63 . . . . 0.0 110.154 178.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.577 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 52.3 t80 -69.4 -34.08 73.97 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.7 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -65.75 -44.2 86.63 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.597 ' HA ' ' CE ' ' A' ' 31' ' ' LYS . 24.0 tp10 -58.11 -42.67 86.22 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.782 174.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.425 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 34.7 t80 -59.93 -43.92 94.66 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.223 176.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.577 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 51.2 mtmt -63.01 -48.49 78.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.496 0.189 . . . . 0.0 110.599 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.597 ' CE ' ' HA ' ' A' ' 28' ' ' GLU . 49.2 mtmt -54.96 -46.92 75.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.545 0.688 . . . . 0.0 110.076 177.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.523 ' O ' ' HD2' ' A' ' 36' ' ' ARG . 63.9 mtt180 -62.74 -47.68 82.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.413 178.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.517 ' HD2' ' O ' ' A' ' 40' ' ' TYR . 25.0 ttt180 -62.83 -40.42 97.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.891 -178.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -61.28 -40.88 95.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.013 0.435 . . . . 0.0 110.309 176.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.0 t -64.22 -28.44 69.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.715 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.523 ' HD2' ' O ' ' A' ' 32' ' ' ARG . 2.5 mpt_? -89.92 10.19 24.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.007 177.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.09 20.71 78.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.699 177.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.86 -7.46 76.85 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.199 -178.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -94.05 67.01 3.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.295 0.569 . . . . 0.0 110.202 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.517 ' O ' ' HD2' ' A' ' 33' ' ' ARG . 20.2 t80 -150.78 101.94 2.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.76 -176.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.27 167.5 21.75 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.454 -179.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.859 HD11 HD22 ' A' ' 21' ' ' LEU . 1.4 tp -66.73 -35.43 74.76 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.136 178.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.595 ' OD1' ' HG2' ' A' ' 12' ' ' ARG . 4.2 p-10 -68.46 -28.61 67.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 123.148 0.28 . . . . 0.0 110.578 -177.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -65.97 -36.09 82.38 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 172.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.547 ' CE2' ' HD2' ' A' ' 49' ' ' ARG . 82.5 t80 -74.94 -47.43 29.69 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.572 175.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 88.0 mt -60.94 -28.52 69.03 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.775 -175.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.525 ' O ' ' HG2' ' A' ' 51' ' ' ARG . . . -73.58 -40.01 64.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.907 0.384 . . . . 0.0 110.804 177.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.497 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 25.0 t70 -77.76 -27.06 50.26 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.428 0.632 . . . . 0.0 109.439 176.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.547 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 36.6 ttt180 -68.7 -38.04 79.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.928 174.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -28.4 68.91 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.672 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 4.8 mmp_? -63.34 -49.13 75.13 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.176 172.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.663 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 38.3 mt-10 -55.38 -34.18 64.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.821 -1.082 . . . . 0.0 111.733 -175.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.47 -44.47 84.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.147 0.498 . . . . 0.0 110.719 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -77.14 -27.65 53.97 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.401 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 50.4 mt -85.08 -3.13 58.68 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.621 -176.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 97.2 mt -69.99 -59.47 2.89 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 172.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -91.57 95.93 10.2 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.979 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.423 ' O ' HD13 ' A' ' 64' ' ' ILE . 60.0 mtt85 -80.1 91.95 5.58 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.801 -176.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.414 ' HB3' ' HB3' ' A' ' 65' ' ' PHE . 25.1 m-20 -57.49 -36.26 71.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.067 176.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.99 -9.54 55.55 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.151 -0.931 . . . . 0.0 112.112 -178.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.27 -71.16 0.35 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.428 0.156 . . . . 0.0 111.074 -174.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -155.07 -95.63 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.966 -172.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.429 ' HB2' ' HB3' ' A' ' 69' ' ' PHE . . . -113.23 60.54 0.65 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.189 0.518 . . . . 0.0 111.181 -176.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.429 HD12 ' N ' ' A' ' 64' ' ' ILE . 4.7 mp -112.27 -33.54 2.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.641 -177.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.414 ' HB3' ' HB3' ' A' ' 59' ' ' ASP . 12.9 p90 -88.23 -4.18 58.75 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.076 -177.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 176.93 -160.63 27.91 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.124 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -88.75 -43.59 11.16 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.755 0.312 . . . . 0.0 111.206 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -76.27 134.5 15.81 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.791 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.429 ' HB3' ' HB2' ' A' ' 63' ' ' ALA . 31.5 p90 -124.68 31.5 5.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.059 0.457 . . . . 0.0 111.31 -177.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.59 38.49 2.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.01 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 38.3 tp -90.57 -75.91 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.76 0.314 . . . . 0.0 110.343 -177.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -103.41 -4.61 23.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.96 0.41 . . . . 0.0 110.78 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.17 3.92 9.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.383 176.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 p -73.89 -72.08 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.051 177.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -150.29 65.93 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.992 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -123.75 14.08 9.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.896 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.9 m -66.84 111.45 3.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.492 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.408 ' HA ' ' NE ' ' A' ' 78' ' ' ARG . 4.7 mmp_? -75.27 127.71 33.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.707 -177.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm 59.0 40.35 22.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.265 178.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.59 101.09 12.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.703 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 60.61 68.61 0.74 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.136 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.505 ' HG3' ' HB2' ' A' ' 85' ' ' LEU . 79.3 ttt180 -156.53 90.98 1.2 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.052 176.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.72 -63.16 1.32 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.916 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -123.47 78.81 1.63 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.321 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.505 ' HB2' ' HG3' ' A' ' 82' ' ' ARG . 97.4 mt . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.412 -0.804 . . . . 0.0 109.903 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.637 0 N-CA-C 111.831 -0.508 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.576 ' HG2' ' H ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -155.04 148.64 18.66 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -177.88 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -75.13 3.82 5.34 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.998 2.466 . . . . 0.0 112.158 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.576 ' H ' ' HG2' ' A' ' 12' ' ' ARG . . . -73.85 5.59 23.73 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.802 -0.636 . . . . 0.0 112.814 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.7 m -67.02 -20.39 26.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.472 0.654 . . . . 0.0 110.098 173.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -131.04 55.43 1.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 174.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -84.77 122.46 29.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.165 -174.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 p -62.65 -21.24 65.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.076 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.447 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 70.1 ttt180 65.0 20.51 12.12 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.682 0.753 . . . . 0.0 110.012 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.28 24.55 51.11 Favored Glycine 0 N--CA 1.444 -0.802 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.054 -177.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.805 HD22 HD11 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -57.79 124.37 18.93 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.05 0.452 . . . . 0.0 110.843 178.587 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.0 p -80.58 168.82 18.45 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.921 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -54.42 -39.72 67.6 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 123.002 0.188 . . . . 0.0 111.426 -175.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.19 -38.8 88.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.603 0.24 . . . . 0.0 111.452 -177.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.693 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 27.6 mt-10 -73.01 -46.26 53.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.315 0.579 . . . . 0.0 109.703 177.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.556 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 59.9 t80 -64.91 -33.04 75.08 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.3 -178.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.03 -45.78 76.44 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.761 177.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -57.23 -44.12 83.5 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 174.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' A' ' 26' ' ' TYR . 23.6 t80 -56.7 -45.51 81.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.2 175.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.556 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 54.1 mtmt -61.49 -46.8 88.48 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 120.735 0.303 . . . . 0.0 110.741 178.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -59.14 -44.82 92.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.331 0.586 . . . . 0.0 110.333 177.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.403 ' O ' ' HD2' ' A' ' 36' ' ' ARG . 98.8 mtt180 -65.33 -42.77 92.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.052 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.563 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 15.0 ttt180 -63.0 -39.03 93.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.257 178.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -62.73 -37.85 88.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.289 174.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.6 t -69.75 -26.11 64.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.853 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.533 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 5.9 mpt_? -91.75 6.45 45.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.948 176.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.49 26.55 73.96 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.83 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.94 -20.95 47.64 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.599 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.19 62.92 7.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.427 0.632 . . . . 0.0 110.671 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.563 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 16.4 t80 -144.33 102.51 3.85 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.522 -179.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.81 171.55 13.01 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 120.454 -0.498 . . . . 0.0 109.947 178.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.805 HD11 HD22 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -70.67 -31.15 45.11 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.958 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.46 -177.613 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.89 -37.97 80.91 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.141 -0.224 . . . . 0.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.422 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 4.9 t70 -68.34 -36.59 79.48 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.569 ' CE2' HD21 ' A' ' 21' ' ' LEU . 78.7 t80 -67.3 -44.06 80.17 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.928 173.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.579 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 92.3 mt -63.45 -34.12 77.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.013 -177.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 50' ' ' GLU . . . -68.14 -40.87 82.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.661 0.267 . . . . 0.0 110.92 177.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.591 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 29.0 t70 -72.01 -37.06 69.87 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 79.8 ttt-85 -57.85 -40.38 79.98 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.511 176.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 11.5 mm-40 -52.02 -34.02 41.17 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.54 173.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.528 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 27.4 mtt-85 -87.9 -33.52 18.48 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.086 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.702 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 33.9 mt-10 -61.77 -30.66 70.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.167 -174.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -58.1 -37.7 75.04 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.609 0.226 . . . . 0.0 111.609 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 13.0 pt-20 -87.07 -17.88 31.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.298 0.57 . . . . 0.0 110.254 177.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 83.7 mt -90.5 1.17 56.94 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.796 -178.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.702 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 94.8 mt -86.15 -3.42 58.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.089 0.471 . . . . 0.0 109.879 175.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.429 ' HA ' HG12 ' A' ' 64' ' ' ILE . 42.8 mt-10 -137.75 88.62 2.34 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.011 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -124.87 -60.93 1.34 Allowed 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 119.659 -0.816 . . . . 0.0 111.366 177.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.4 t70 174.65 -38.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.451 0.643 . . . . 0.0 110.535 -172.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -90.38 -24.96 20.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.73 -170.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.538 ' H ' ' CD ' ' A' ' 61' ' ' GLU . 0.8 OUTLIER -92.44 -26.57 17.94 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -169.216 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.425 ' C ' HD12 ' A' ' 64' ' ' ILE . 8.7 mt-10 -163.67 -168.27 1.61 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.938 0.399 . . . . 0.0 111.21 -177.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.05 67.78 5.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.661 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.429 HG12 ' HA ' ' A' ' 57' ' ' GLU . 5.4 mp -95.71 -19.63 6.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.836 0.827 . . . . 0.0 109.54 175.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -95.49 8.49 43.14 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.939 -178.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 173.52 -151.04 12.68 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.32 -178.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -101.6 -3.0 29.16 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.89 0.376 . . . . 0.0 110.882 -177.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -160.71 165.67 35.19 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.993 177.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -130.08 31.61 4.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.137 0.494 . . . . 0.0 109.771 177.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.68 -19.75 60.93 Favored Glycine 0 CA--C 1.518 0.233 0 CA-C-N 115.723 -0.671 . . . . 0.0 113.493 -174.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.3 pp -84.22 0.5 48.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.864 0.332 . . . . 0.0 111.52 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -140.33 152.18 45.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.82 0.343 . . . . 0.0 110.213 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -127.2 97.7 5.02 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.47 HG21 ' HA ' ' A' ' 61' ' ' GLU . 9.4 m -63.31 110.93 2.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.811 -178.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -90.93 65.45 5.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.756 -176.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.59 -1.97 25.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.279 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.5 p -124.52 34.91 4.91 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.352 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -53.31 -40.93 65.16 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.845 -173.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -122.41 28.26 7.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.242 0.544 . . . . 0.0 110.183 178.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -108.37 -63.3 1.34 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.865 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -148.78 18.51 1.01 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.059 -177.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 82' ' ' ARG . 7.8 tpp180 -113.9 48.86 1.04 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.416 0.627 . . . . 0.0 109.549 -177.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.73 -30.24 66.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.808 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -92.81 84.26 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.303 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 58.4 tp . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.392 -0.814 . . . . 0.0 109.79 177.93 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 12' ' ' ARG . . . . . . . . 0 N--CA 1.481 1.652 0 N-CA-C 112.045 -0.422 . . . . 0.0 112.045 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.43 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 55.7 mtp180 70.87 147.47 0.12 Allowed Pre-proline 0 N--CA 1.464 0.274 0 C-N-CA 123.212 0.605 . . . . 0.0 111.751 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 12' ' ' ARG . 6.0 Cg_exo -80.0 52.49 4.33 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.805 2.337 . . . . 0.0 112.172 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -124.45 6.99 8.54 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.685 177.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.0 m -77.32 -32.87 19.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.987 0.423 . . . . 0.0 111.209 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -112.85 -64.48 1.3 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.711 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.417 ' O ' HD11 ' A' ' 46' ' ' LEU . 28.9 mmm180 68.54 93.74 0.08 Allowed 'General case' 0 CA--C 1.519 -0.221 0 O-C-N 123.749 0.655 . . . . 0.0 112.034 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.428 ' O ' HD13 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -76.96 -15.98 59.49 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.539 173.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.506 ' CZ ' ' HB3' ' A' ' 46' ' ' LEU . 36.0 ttm180 54.38 41.29 32.06 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 114.268 -1.333 . . . . 0.0 111.935 174.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.5 31.48 76.72 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.731 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.61 HD22 HD11 ' A' ' 42' ' ' ILE . 0.8 OUTLIER -65.4 121.34 14.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.678 0.275 . . . . 0.0 110.321 176.712 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.5 p -81.24 178.25 8.51 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.774 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -58.08 -39.41 78.48 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 121.233 -0.187 . . . . 0.0 111.179 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -69.21 -45.91 68.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.368 -178.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.588 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 5.6 mm-40 -61.47 -44.83 96.4 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.357 0.599 . . . . 0.0 109.619 176.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.582 ' HA ' HD23 ' A' ' 21' ' ' LEU . 59.4 t80 -66.97 -36.76 82.9 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.653 -178.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.485 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 33.5 t70 -64.66 -42.93 95.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.984 0.421 . . . . 0.0 110.254 177.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -61.79 -44.26 97.21 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.22 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -56.83 -44.77 82.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.89 174.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.564 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 56.1 mtmt -59.8 -51.02 71.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.622 0.248 . . . . 0.0 110.632 178.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -54.68 -46.79 74.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.456 0.646 . . . . 0.0 110.594 177.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -67.42 -37.46 83.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.366 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.59 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 17.9 ttt180 -70.24 -39.15 75.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.562 178.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.64 -41.31 94.64 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.5 t -59.89 -36.54 77.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.694 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.601 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 6.5 mpt_? -87.59 12.99 11.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.561 179.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.52 34.43 89.1 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.552 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.8 -19.66 19.52 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.23 -0.509 . . . . 0.0 112.21 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -83.73 57.05 3.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.321 0.582 . . . . 0.0 111.241 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.601 ' HB2' ' HB2' ' A' ' 36' ' ' ARG . 16.5 t80 -137.23 102.28 4.77 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.667 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.66 164.55 25.2 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.657 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.624 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -66.21 -31.68 54.71 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.166 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.741 178.08 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -67.45 -29.47 68.95 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.304 -176.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -67.66 -43.97 78.97 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 173.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.466 ' HE2' HD11 ' A' ' 21' ' ' LEU . 90.7 t80 -62.25 -48.89 77.95 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.326 175.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 86.6 mt -63.0 -34.8 78.33 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 123.624 0.769 . . . . 0.0 112.043 -174.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.43 -26.67 61.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.156 0.503 . . . . 0.0 111.125 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.612 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 15.2 t70 -91.1 -31.17 16.35 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 175.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.555 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 33.9 ttt180 -62.32 -36.73 83.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.903 174.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.472 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -58.19 -31.47 67.32 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 177.108 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.674 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 21.0 mtt180 -75.98 -40.03 54.66 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.032 175.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.612 ' HG3' ' O ' ' A' ' 48' ' ' ASP . 40.2 mt-10 -70.73 -20.05 62.68 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.979 -1.009 . . . . 0.0 111.746 -176.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 49' ' ' ARG . 44.8 mt-10 -65.6 -28.69 69.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.284 0.564 . . . . 0.0 109.683 172.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.448 ' HB3' ' O ' ' A' ' 51' ' ' ARG . 13.0 tp10 -79.93 -34.59 38.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.634 174.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 20.5 mt -83.03 -81.16 0.16 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.926 -1.033 . . . . 0.0 110.408 -173.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 92.9 mt 56.47 -85.45 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.347 0.659 . . . . 0.0 112.52 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -95.1 133.1 39.28 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.706 -174.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.42 ' HB3' ' CB ' ' A' ' 61' ' ' GLU . 23.8 mmm180 -83.8 -10.1 58.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.962 -179.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.5 t70 55.22 -92.29 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.779 174.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -85.83 -10.35 55.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.6 -170.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.42 ' CB ' ' HB3' ' A' ' 58' ' ' ARG . 39.2 tt0 -50.12 -35.9 27.57 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.389 0.431 . . . . 0.0 111.757 -177.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -152.12 -81.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 175.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -156.8 82.25 0.95 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.186 177.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.4 HD12 ' N ' ' A' ' 64' ' ' ILE . 4.7 mp -112.77 -32.92 2.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.43 0.633 . . . . 0.0 109.939 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -76.8 147.39 37.25 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.282 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.32 19.54 30.04 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.596 -0.811 . . . . 0.0 111.656 -178.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.4 t70 64.15 84.83 0.14 Allowed 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.095 0.558 . . . . 0.0 111.272 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.66 -158.94 20.34 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.762 -0.653 . . . . 0.0 112.092 178.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -123.7 46.2 2.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.324 0.583 . . . . 0.0 110.65 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.83 -20.21 79.71 Favored Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.316 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 92.0 mt -72.0 175.75 5.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.746 0.308 . . . . 0.0 110.9 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -74.02 154.01 39.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.087 0.47 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.64 88.06 2.76 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.31 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.7 m -76.95 131.31 38.45 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.699 -176.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 62.09 37.99 14.23 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.847 -178.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -72.03 -30.45 65.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.909 177.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.432 ' HB2' ' HB3' ' A' ' 80' ' ' ALA . 11.9 p -87.16 66.03 9.11 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.638 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.8 tpt180 -64.35 -34.32 77.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.281 -175.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -77.63 -14.45 59.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.549 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.432 ' HB3' ' HB2' ' A' ' 77' ' ' SER . . . -87.95 51.79 2.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.163 0.506 . . . . 0.0 110.774 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -81.26 -5.57 57.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.722 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -90.1 140.95 29.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.791 177.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.31 29.75 1.61 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.11 0.481 . . . . 0.0 111.273 -177.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -119.59 22.86 11.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.55 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.9 mp . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.396 -0.811 . . . . 0.0 110.555 -178.826 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.708 0 N-CA-C 112.023 -0.431 . . . . 0.0 112.023 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -77.24 138.63 64.33 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.437 ' O ' ' HD3' ' A' ' 17' ' ' ARG . 55.3 Cg_endo -78.87 71.92 6.73 Favored 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 122.714 2.276 . . . . 0.0 112.097 -179.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.1 27.84 2.75 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.67 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.5 m -81.23 -20.08 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.829 0.347 . . . . 0.0 111.624 -175.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -133.03 -71.72 0.52 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.94 -177.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.437 ' HD3' ' O ' ' A' ' 13' ' ' PRO . 28.5 mmm180 50.96 59.13 4.84 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.593 176.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.4 ' H ' ' H ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -151.99 -17.53 0.18 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.556 178.77 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.4 ' H ' ' H ' ' A' ' 18' ' ' THR . 65.0 ttt180 67.31 -69.81 0.13 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.481 0.713 . . . . 0.0 111.289 -179.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -171.8 29.76 0.11 Allowed Glycine 0 CA--C 1.502 -0.77 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 176.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.83 HD22 HD11 ' A' ' 42' ' ' ILE . 1.4 mp -63.37 123.77 19.56 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 114.794 -0.703 . . . . 0.0 111.749 -174.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.5 p -83.45 176.1 9.32 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.946 173.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -57.88 -34.11 69.43 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.549 0.214 . . . . 0.0 111.197 -177.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 25' ' ' GLU . 9.5 pt-20 -70.81 -45.83 63.92 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.756 -0.202 . . . . 0.0 111.02 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.635 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 21.7 mt-10 -67.82 -41.12 83.55 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.609 ' HA ' HD23 ' A' ' 21' ' ' LEU . 73.5 t80 -66.85 -36.35 82.13 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.441 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -63.94 -46.11 86.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.213 0.53 . . . . 0.0 109.98 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -62.57 -37.8 87.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.734 177.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 45' ' ' TYR . 15.4 t80 -63.48 -43.07 98.34 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.726 174.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.557 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 50.2 mtmt -60.11 -42.26 94.35 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 177.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -62.69 -48.28 79.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.465 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -65.0 -33.46 76.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.975 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.64 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 50.0 ttt180 -74.47 -35.67 63.29 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.366 177.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -63.86 -35.51 80.89 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 173.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.0 t -63.33 -17.19 62.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.884 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.567 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 4.8 mpt_? -112.32 17.65 19.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 178.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.88 15.31 64.53 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.909 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.86 -16.22 54.67 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.05 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -88.8 62.94 6.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.607 0.717 . . . . 0.0 110.815 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.64 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 27.2 t80 -142.18 104.88 4.52 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.999 -1.0 . . . . 0.0 108.616 -177.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.06 166.36 19.82 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.751 -175.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.83 HD11 HD22 ' A' ' 21' ' ' LEU . 1.8 tp -61.74 -33.97 60.11 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.891 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.226 -178.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -63.78 -33.28 75.31 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.951 0.405 . . . . 0.0 110.686 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -70.65 -33.52 71.05 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.564 ' HE2' HD11 ' A' ' 21' ' ' LEU . 83.2 t80 -72.22 -47.55 49.58 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.97 172.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.579 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 91.4 mt -59.52 -33.72 71.71 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.762 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.46 -43.02 98.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 110.95 175.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.605 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 13.0 t70 -73.1 -35.45 66.61 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 176.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -62.09 -37.33 84.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.185 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 13.4 mm-40 -57.26 -37.12 71.86 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.203 173.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.584 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 40.4 mtt180 -72.66 -43.36 63.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.349 177.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.636 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 44.0 mt-10 -59.25 -25.26 63.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.053 -0.976 . . . . 0.0 112.56 -175.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -50.38 -45.53 55.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.842 0.353 . . . . 0.0 111.5 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -87.47 -21.64 25.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.045 0.45 . . . . 0.0 110.731 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 60.4 mt -79.25 -13.83 59.43 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.004 -174.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 91.3 mt -66.09 -35.82 81.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.043 0.449 . . . . 0.0 110.345 176.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -113.53 0.68 14.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.248 -175.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.401 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 73.2 mtt180 -141.44 -175.95 4.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.572 -175.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 58' ' ' ARG . 32.2 t70 69.14 -81.61 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 O-C-N 123.748 0.655 . . . . 0.0 111.753 176.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -74.13 -10.81 59.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.916 0.389 . . . . 0.0 111.242 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -83.68 13.3 4.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.444 -175.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 72.54 116.82 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.261 -0.881 . . . . 0.0 113.219 172.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' A' ' 68' ' ' GLY . . . 63.45 53.8 2.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.112 -0.949 . . . . 0.0 113.08 169.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.6 mp -121.21 -43.62 2.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.676 0.751 . . . . 0.0 109.169 172.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -73.55 153.83 40.09 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.033 176.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 54.24 -126.42 36.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.222 -0.513 . . . . 0.0 112.828 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -122.58 -12.74 8.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.824 0.345 . . . . 0.0 110.854 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 63' ' ' ALA . . . -147.73 -147.71 4.6 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.968 -177.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.427 ' HB3' ' N ' ' A' ' 63' ' ' ALA . 53.4 p90 -141.14 175.13 9.88 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 -178.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.99 -37.67 2.15 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.87 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.0 tp -53.57 -51.76 61.93 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 122.928 0.491 . . . . 0.0 111.446 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -139.73 49.79 1.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -165.88 158.49 14.99 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.113 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.7 m 70.92 125.21 0.03 OUTLIER 'General case' 0 C--O 1.234 0.245 0 O-C-N 124.049 0.843 . . . . 0.0 112.061 175.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -77.44 49.75 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 110.244 177.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -100.39 -20.76 15.67 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.113 -0.948 . . . . 0.0 109.507 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.6 p -76.11 67.9 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.307 -174.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -112.4 -11.64 13.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.953 0.406 . . . . 0.0 110.379 173.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -138.93 31.45 2.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.238 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -93.51 152.53 19.0 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 -176.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -94.35 65.04 3.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.16 178.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -91.63 58.43 3.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.718 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.85 -50.39 7.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.79 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -91.72 94.27 9.29 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.951 0.405 . . . . 0.0 110.397 -177.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.54 -0.743 . . . . 0.0 110.205 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.644 0 N-CA-C 111.775 -0.53 . . . . 0.0 111.775 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -135.11 153.03 78.08 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -79.38 39.03 0.77 Allowed 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.683 2.255 . . . . 0.0 112.006 177.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -89.82 27.53 8.0 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 121.149 -0.548 . . . . 0.0 112.24 -175.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.5 m -83.37 -21.2 8.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.99 0.424 . . . . 0.0 110.568 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -169.38 82.49 0.13 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.713 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.451 ' O ' HD11 ' A' ' 46' ' ' LEU . 12.9 mmm180 -101.16 104.17 15.25 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.287 0.565 . . . . 0.0 111.303 178.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.4 p -78.22 107.54 10.89 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.398 175.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.486 ' HD3' HD22 ' A' ' 46' ' ' LEU . 81.1 mtp180 -75.26 57.03 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.373 175.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.56 37.17 94.29 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -174.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.669 HD22 HD11 ' A' ' 42' ' ' ILE . 0.8 OUTLIER -65.77 110.19 2.73 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 120.876 0.37 . . . . 0.0 110.524 -178.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.5 p -68.19 -179.15 1.19 Allowed 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.292 176.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -67.81 -15.8 63.8 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 120.79 0.329 . . . . 0.0 110.117 177.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -83.02 -55.92 4.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.355 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.603 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 7.6 mm-40 -57.15 -40.96 78.27 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 121.335 0.588 . . . . 0.0 109.933 178.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.524 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 59.0 t80 -69.81 -34.63 73.97 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.929 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.484 ' OD2' ' HE3' ' A' ' 31' ' ' LYS . 36.6 t70 -68.64 -41.61 79.17 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -58.9 -47.2 85.82 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.424 173.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -56.56 -41.83 77.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.999 176.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 41.7 mtmt -63.96 -46.96 82.31 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.311 -0.156 . . . . 0.0 110.844 178.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.484 ' HE3' ' OD2' ' A' ' 27' ' ' ASP . 94.8 mttt -58.35 -43.45 88.35 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.51 0.672 . . . . 0.0 110.049 178.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -65.03 -48.26 74.48 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.01 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.562 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 19.8 ttt180 -64.2 -32.99 74.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.96 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -63.7 -41.38 98.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.217 0.532 . . . . 0.0 109.84 175.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.5 t -63.55 -32.58 74.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.834 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.583 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 6.9 mpt_? -88.09 6.98 33.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.14 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.48 26.48 73.62 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.712 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.34 -17.77 58.67 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.853 -177.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -84.41 57.73 4.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.423 0.63 . . . . 0.0 110.741 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.583 ' HB2' ' HB2' ' A' ' 36' ' ' ARG . 20.8 t80 -141.66 104.8 4.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.345 -178.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.79 166.7 19.78 Favored 'General case' 0 C--N 1.312 -1.052 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.095 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.696 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 0.7 OUTLIER -66.1 -31.12 52.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.371 -179.634 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -65.77 -37.51 86.54 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.48 0.178 . . . . 0.0 111.48 -176.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.549 ' OD2' ' HE1' ' A' ' 40' ' ' TYR . 5.2 t70 -64.92 -32.48 74.21 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 175.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.463 ' CE2' ' HD2' ' A' ' 49' ' ' ARG . 94.0 t80 -73.28 -43.1 61.63 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.525 174.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 92.8 mt -69.49 -31.13 69.21 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 122.828 0.451 . . . . 0.0 111.734 -173.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 50' ' ' GLU . . . -70.58 -40.26 73.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.168 0.509 . . . . 0.0 109.798 174.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -71.34 -28.99 64.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.337 175.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.463 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 25.9 ttt-85 -65.73 -33.73 76.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.065 176.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 47' ' ' ALA . 11.9 mm-40 -62.62 -30.51 71.41 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.055 173.284 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.685 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 26.3 mtt180 -79.78 -33.86 40.23 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.894 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.707 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 43.3 mt-10 -53.33 -39.12 63.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.902 -176.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -56.31 -48.93 75.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.651 0.262 . . . . 0.0 111.323 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.448 ' O ' HG12 ' A' ' 64' ' ' ILE . 12.0 pt-20 -74.32 -28.9 61.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 0.0 110.608 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 85.4 mt -73.86 -18.17 60.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.149 -177.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.707 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 93.0 mt -70.31 -78.13 0.08 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.717 178.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -165.8 46.67 0.08 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.873 0.368 . . . . 0.0 111.542 -176.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.549 ' HE ' ' HA ' ' A' ' 58' ' ' ARG . 1.3 mmp_? -105.02 95.81 6.1 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.574 -0.704 . . . . 0.0 111.245 -177.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -73.67 -12.66 60.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.363 -0.835 . . . . 0.0 108.782 174.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -65.1 -26.44 68.21 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.268 173.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -85.4 -71.77 0.51 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.928 -173.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.408 ' C ' HD12 ' A' ' 64' ' ' ILE . 8.0 tt0 -155.99 -154.24 0.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -176.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.01 54.97 1.07 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.119 0.485 . . . . 0.0 112.302 -174.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' ' 54' ' ' GLU . 5.3 mp -89.41 -20.63 7.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.962 0.886 . . . . 0.0 108.99 175.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -87.25 3.14 47.83 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.543 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.75 -168.82 46.02 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.59 -176.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.8 t70 70.62 -56.59 0.61 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.634 0.774 . . . . 0.0 111.972 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 139.77 154.26 6.27 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -94.26 139.18 31.38 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 117.626 0.713 . . . . 0.0 110.715 -178.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 173.97 32.62 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 177.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.2 pp -171.0 156.07 4.72 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -174.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt 57.96 32.39 21.89 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 123.626 0.579 . . . . 0.0 111.701 177.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.43 -36.49 84.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.321 0.581 . . . . 0.0 109.792 177.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.6 m -84.37 105.52 15.26 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.984 174.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -72.57 98.48 2.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.132 0.491 . . . . 0.0 110.268 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -82.29 55.85 3.02 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.293 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.5 p -78.72 34.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.794 -176.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -80.76 -20.14 43.34 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 176.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -115.34 46.53 1.45 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.689 -1.141 . . . . 0.0 109.215 177.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.35 57.36 3.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.239 -175.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -78.58 -33.92 47.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.931 177.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -98.38 75.49 2.24 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.512 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -132.06 -55.87 0.98 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.975 0.417 . . . . 0.0 110.259 175.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -110.29 87.03 2.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.365 177.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.403 ' N ' HD22 ' A' ' 85' ' ' LEU . 2.7 mm? . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.542 -0.742 . . . . 0.0 109.787 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.881 0 N-CA-C 112.207 -0.357 . . . . 0.0 112.207 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -102.27 158.95 30.77 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -76.48 82.9 2.15 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.747 2.298 . . . . 0.0 112.352 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -88.79 -40.05 6.4 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.328 175.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.5 p -82.48 124.47 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 175.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 58.32 93.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.44 0.638 . . . . 0.0 109.38 -172.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 18' ' ' THR . 16.3 tpt180 -98.17 169.47 9.57 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.362 -174.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.446 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 2.8 p -56.66 115.41 2.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.726 177.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -53.13 -53.48 49.82 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.713 175.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -172.79 60.08 0.15 Allowed Glycine 0 CA--C 1.498 -0.989 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.744 HD23 ' HA ' ' A' ' 26' ' ' TYR . 5.5 mp -89.91 114.49 26.3 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.07 0.462 . . . . 0.0 110.476 -178.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.7 p -70.49 173.78 6.57 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 172.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -56.41 -33.04 65.42 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 118.201 0.455 . . . . 0.0 110.374 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -66.86 -54.94 17.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.435 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.542 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 4.1 mm-40 -63.92 -36.06 82.71 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.932 0.396 . . . . 0.0 110.217 -178.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.744 ' HA ' HD23 ' A' ' 21' ' ' LEU . 56.0 t80 -70.66 -33.94 71.49 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.291 178.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -65.66 -45.65 82.13 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 177.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -58.0 -42.87 86.11 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.529 173.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -58.92 -45.47 90.28 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.011 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.542 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 50.4 mtmt -60.68 -48.64 80.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.005 0.431 . . . . 0.0 109.962 176.177 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -56.07 -44.89 79.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.966 177.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -70.32 -38.78 74.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.132 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.556 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 27.7 ttt180 -69.09 -35.83 76.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.408 177.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.67 -40.04 90.63 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.078 175.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -60.98 -34.12 74.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.428 177.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.541 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 7.4 mpt_? -87.84 5.94 37.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.305 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.83 21.7 76.7 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.453 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.19 -19.58 50.89 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.085 -177.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -83.04 61.78 6.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.067 0.46 . . . . 0.0 110.767 -178.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.556 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 22.1 t80 -148.54 103.77 3.44 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.907 -177.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.34 167.79 19.1 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.588 0.709 . . . . 0.0 111.163 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.741 HD11 HD22 ' A' ' 21' ' ' LEU . 3.5 tp -67.16 -22.81 29.65 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.036 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.911 178.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -73.79 -33.07 64.06 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.17 -0.212 . . . . 0.0 110.751 -177.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -70.15 -37.49 75.25 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 175.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.4 ' CE1' HD21 ' A' ' 21' ' ' LEU . 59.7 t80 -68.51 -45.69 71.58 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.44 174.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.6 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 44.0 mt -65.35 -39.51 92.45 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.901 -176.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.77 -41.04 98.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.838 0.352 . . . . 0.0 110.663 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -73.37 -34.12 65.4 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.601 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 49.8 ttt85 -58.66 -47.03 85.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.801 176.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.6 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 76.0 mm-40 -51.29 -39.96 57.96 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.88 176.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.508 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 31.4 mtt180 -77.08 -47.55 20.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.88 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.659 ' O ' ' HB2' ' A' ' 56' ' ' LEU . 30.6 mm-40 -58.76 -30.12 67.29 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.469 -175.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.601 ' HG3' ' O ' ' A' ' 49' ' ' ARG . 35.5 mt-10 -66.51 -43.92 83.93 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.122 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -77.3 -21.8 52.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.24 0.543 . . . . 0.0 110.309 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 75.5 mt -90.47 -15.3 31.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.213 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.659 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 10.9 tp -78.21 -43.14 29.27 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 176.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -93.31 -174.62 3.58 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.437 -1.256 . . . . 0.0 108.845 174.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.508 ' O ' HD13 ' A' ' 64' ' ' ILE . 59.1 ttt180 -133.61 101.92 5.3 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.967 0.413 . . . . 0.0 110.787 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.452 ' OD1' ' HB3' ' A' ' 65' ' ' PHE . 68.7 m-20 -58.73 -44.15 90.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.541 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -69.47 -10.32 57.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.656 -176.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -60.49 -56.5 20.59 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -177.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -166.54 -86.89 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.611 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -133.2 81.66 1.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.972 0.415 . . . . 0.0 110.332 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.508 HD13 ' O ' ' A' ' 58' ' ' ARG . 4.3 mp -121.37 -22.24 3.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.82 0.819 . . . . 0.0 109.876 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.452 ' HB3' ' OD1' ' A' ' 59' ' ' ASP . 30.8 p90 -97.17 24.14 6.68 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.562 -177.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.83 76.16 1.28 Allowed Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.712 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.3 t70 59.09 -150.64 0.43 Allowed 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 -176.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.24 17.96 65.72 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.806 176.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -78.4 167.89 20.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.976 0.417 . . . . 0.0 110.894 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 122.77 -96.73 0.56 Allowed Glycine 0 N--CA 1.443 -0.877 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -177.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 87.2 mt 55.39 -108.45 0.44 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.874 0.47 . . . . 0.0 111.854 176.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -72.31 -33.24 67.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.855 -177.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.7 -20.85 62.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.14 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.9 p -100.83 116.82 33.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.676 178.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.81 45.77 2.77 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.436 0.636 . . . . 0.0 110.105 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -91.32 89.45 7.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.29 -178.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.6 m -78.61 78.91 5.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.668 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -83.32 128.21 34.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.496 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm 54.25 36.63 25.56 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.247 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -114.53 79.91 1.33 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.399 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -65.28 123.2 18.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.337 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -144.66 85.26 1.76 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.977 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.77 -50.64 4.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.613 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -120.61 123.34 42.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.192 0.52 . . . . 0.0 111.143 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 77.0 mt . . . . . 0 C--O 1.245 0.834 0 CA-C-O 118.672 -0.68 . . . . 0.0 109.289 172.559 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.659 0 N-CA-C 111.847 -0.501 . . . . 0.0 111.847 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.546 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -131.05 160.64 65.96 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.357 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.546 ' HD2' ' HB2' ' A' ' 12' ' ' ARG . 73.3 Cg_endo -73.76 83.79 1.52 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.966 2.444 . . . . 0.0 112.94 -174.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -143.82 39.07 1.3 Allowed Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.534 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.83 133.41 27.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.632 0.253 . . . . 0.0 110.482 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.1 t80 61.53 45.69 8.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.598 0.713 . . . . 0.0 110.147 -178.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.503 ' O ' HD11 ' A' ' 46' ' ' LEU . 29.5 tpt180 -76.16 104.67 6.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.967 177.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -28.83 69.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.676 -177.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 67.43 -71.09 0.11 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.238 0.615 . . . . 0.0 111.392 177.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -165.83 32.21 0.22 Allowed Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.761 HD22 HD11 ' A' ' 42' ' ' ILE . 3.9 mp -71.8 115.79 11.42 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.227 0.537 . . . . 0.0 111.293 -178.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.9 p -76.18 179.05 5.95 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.126 173.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -58.46 -34.8 71.27 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.307 178.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.77 -51.71 45.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.005 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.608 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 12.1 mm-40 -61.71 -42.54 99.08 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.24 0.543 . . . . 0.0 110.201 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.652 ' HA ' HD23 ' A' ' 21' ' ' LEU . 57.4 t80 -66.43 -36.55 83.07 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.324 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -64.26 -45.92 86.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.403 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -62.14 -38.51 89.23 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.431 176.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.407 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 41.3 t80 -61.46 -44.23 97.47 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.582 176.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.624 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 49.1 mtmt -63.5 -45.47 90.54 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.252 0.549 . . . . 0.0 109.775 176.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -54.78 -45.47 74.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.507 176.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -70.41 -43.08 70.74 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.742 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.556 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 40.8 ttt180 -66.39 -32.76 74.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.466 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -61.17 -40.75 95.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.544 174.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.7 t -63.61 -28.47 69.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.602 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.544 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 7.0 mpt_? -93.73 11.77 27.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.196 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.04 27.87 73.21 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.623 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.27 -14.69 63.97 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.139 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -90.86 72.1 6.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.241 0.543 . . . . 0.0 111.158 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.556 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 33.5 t80 -150.48 105.16 3.29 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.509 -177.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.36 163.24 27.66 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.366 0.603 . . . . 0.0 111.016 -178.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.761 HD11 HD22 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -69.25 -31.23 48.96 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.976 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.627 178.539 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -70.22 -28.77 65.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 -177.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -63.69 -44.14 94.54 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 172.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.454 ' CE2' ' HD2' ' A' ' 49' ' ' ARG . 90.0 t80 -66.28 -50.84 62.32 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.983 176.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 94.2 mt -58.54 -37.29 75.36 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 123.651 0.781 . . . . 0.0 112.04 -175.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.04 -38.28 87.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.923 0.392 . . . . 0.0 110.758 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.464 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 29.0 t70 -78.13 -31.87 50.09 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 176.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.454 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 36.4 ttt180 -60.07 -35.7 75.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.841 175.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 14.2 mm-40 -64.08 -25.73 68.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.911 175.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.543 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 34.1 mtt180 -89.85 -27.38 19.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.427 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.631 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 39.5 mt-10 -58.7 -21.58 55.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.48 -174.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -58.37 -37.71 75.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.463 0.173 . . . . 0.0 111.189 177.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 11.0 pt-20 -87.53 -17.85 31.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.199 0.523 . . . . 0.0 110.381 177.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.46 ' HB2' ' HA ' ' A' ' 52' ' ' GLU . 87.8 mt -84.87 -16.65 40.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.222 -176.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 95.2 mt -69.58 -69.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.217 0.532 . . . . 0.0 109.732 175.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -143.38 144.23 31.97 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.958 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.518 ' O ' HD13 ' A' ' 64' ' ' ILE . 50.8 ttp180 -129.04 103.17 6.84 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.255 0.55 . . . . 0.0 110.276 179.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -68.69 -5.15 18.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.603 -176.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -90.74 -10.27 43.62 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.94 0.4 . . . . 0.0 110.779 176.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -70.54 -72.77 0.19 Allowed 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.537 -174.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 176.41 -42.23 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.178 0.513 . . . . 0.0 110.021 -177.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.43 ' O ' ' HB ' ' A' ' 64' ' ' ILE . . . -92.14 -160.5 0.74 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.387 174.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.518 HD13 ' O ' ' A' ' 58' ' ' ARG . 3.4 mp 78.78 -60.29 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 171.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -77.63 -39.28 45.76 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -172.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.56 -80.17 1.5 Allowed Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.281 -0.961 . . . . 0.0 112.197 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -146.5 -58.93 0.3 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.269 0.556 . . . . 0.0 109.812 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -155.0 -179.0 29.84 Favored Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -82.47 169.11 16.75 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.561 -0.456 . . . . 0.0 109.949 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.55 ' HA2' HG23 ' A' ' 74' ' ' THR . . . 140.53 40.92 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.498 -177.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.2 mt -126.21 -58.12 1.37 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -108.06 -24.64 11.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.391 174.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.54 38.13 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.239 0.543 . . . . 0.0 110.647 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.55 HG23 ' HA2' ' A' ' 70' ' ' GLY . 0.4 OUTLIER -132.44 -178.87 5.12 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.769 179.469 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 67.61 16.42 9.86 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.733 0.646 . . . . 0.0 111.351 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 74' ' ' THR . 53.6 mtt180 -113.04 135.92 53.26 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.6 m -79.39 62.77 3.82 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.127 0.489 . . . . 0.0 111.212 -175.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -73.34 -23.66 60.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.835 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -78.96 -2.54 40.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.079 0.466 . . . . 0.0 110.32 178.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -108.84 12.33 25.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.157 176.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -104.82 23.15 13.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.243 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -121.12 80.13 1.61 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.737 -177.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.95 61.86 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.215 0.531 . . . . 0.0 110.353 178.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -167.52 -48.42 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.471 -177.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.0 mp . . . . . 0 C--O 1.25 1.081 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.184 179.816 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.654 0 N-CA-C 112.366 -0.294 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -152.99 137.33 10.7 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -73.61 71.93 3.83 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.707 2.271 . . . . 0.0 111.979 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.63 -42.41 1.72 Allowed Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 175.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.5 p -55.27 -43.27 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.995 0.426 . . . . 0.0 110.733 175.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -128.85 99.07 5.17 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 174.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -81.91 -66.38 0.9 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.057 -175.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 p -142.21 164.91 28.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.085 0.469 . . . . 0.0 111.691 -177.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -113.14 65.71 0.65 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 173.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 55.27 48.05 71.28 Favored Glycine 0 CA--C 1.507 -0.414 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.844 -176.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.714 HD22 HD11 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -81.82 115.64 21.13 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 120.89 0.376 . . . . 0.0 110.51 -176.801 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.7 p -73.25 176.79 5.61 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.461 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -58.56 -38.25 77.43 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 120.512 0.196 . . . . 0.0 111.321 -176.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -69.7 -47.52 62.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.559 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.576 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 7.5 mm-40 -62.48 -40.94 98.29 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 121.23 0.538 . . . . 0.0 109.733 179.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.582 ' CE2' ' HD2' ' A' ' 30' ' ' LYS . 62.1 t80 -69.06 -39.92 78.84 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.713 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.507 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 25.5 t70 -58.93 -46.58 87.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.19 0.519 . . . . 0.0 109.933 176.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -60.47 -47.49 85.88 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.935 177.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.46 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 45.6 t80 -54.4 -43.82 71.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.1 176.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.582 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 21.7 mtpp -62.09 -51.35 68.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.872 178.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -58.01 -37.98 75.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.282 0.563 . . . . 0.0 110.528 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -68.87 -48.69 62.79 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.095 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.528 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 21.3 ttt180 -64.51 -35.83 82.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.636 -178.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.52 -40.0 93.07 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.104 175.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.8 t -66.59 -30.03 70.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.778 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.518 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 6.3 mpt_? -89.93 8.2 33.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.288 178.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.75 29.11 74.22 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.536 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.39 -23.3 34.33 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.492 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.0 mttt -83.25 63.52 7.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.431 0.634 . . . . 0.0 110.902 -178.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.528 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 26.5 t80 -146.48 96.75 2.82 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.208 -0.906 . . . . 0.0 108.967 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.31 167.26 21.99 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.25 -177.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.714 HD11 HD22 ' A' ' 21' ' ' LEU . 3.0 tp -62.76 -34.42 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.607 177.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -62.75 -40.41 97.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.196 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -59.39 -32.04 69.79 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.429 0.633 . . . . 0.0 109.613 176.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.42 ' CE2' ' HD2' ' A' ' 49' ' ' ARG . 86.2 t80 -82.98 -41.43 18.77 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.013 176.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 82.3 mt -66.63 -32.92 74.55 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -173.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.98 -36.61 75.33 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.146 0.498 . . . . 0.0 110.105 175.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -75.09 -29.05 60.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.25 175.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.42 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 31.2 ttt180 -68.2 -37.12 80.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.642 177.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.619 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 78.2 mm-40 -52.94 -39.66 63.06 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.436 172.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.444 ' O ' HD13 ' A' ' 55' ' ' LEU . 25.5 mtt180 -72.83 -46.48 52.79 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.963 178.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.731 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 62.5 mm-40 -57.0 -36.5 70.46 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.469 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -59.81 -39.77 86.11 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.498 0.184 . . . . 0.0 111.498 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -87.03 -17.48 32.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.146 0.498 . . . . 0.0 110.769 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' ' 51' ' ' ARG . 9.3 mp -86.28 -5.75 59.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.18 176.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.731 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 80.6 mt -81.22 -176.03 5.76 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.669 173.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 50.94 41.98 27.68 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 121.366 0.603 . . . . 0.0 109.836 -171.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -101.81 -57.73 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.352 -173.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -155.6 -66.2 0.12 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.494 -170.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -70.29 -14.52 62.63 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -174.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -74.9 -57.4 3.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.733 0.301 . . . . 0.0 111.541 -175.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -154.52 -163.32 1.57 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 -174.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.529 ' HB2' ' CD1' ' A' ' 69' ' ' PHE . . . -83.03 65.77 8.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.944 0.402 . . . . 0.0 111.618 -174.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.0 mp -95.63 -25.41 4.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.624 0.726 . . . . 0.0 109.513 176.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -97.09 19.57 12.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.056 -179.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.84 -175.5 21.56 Favored Glycine 0 N--CA 1.444 -0.808 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -173.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -75.82 156.99 33.93 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.975 0.388 . . . . 0.0 110.577 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.37 50.45 0.76 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.933 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.529 ' CD1' ' HB2' ' A' ' 63' ' ' ALA . 24.3 p90 -109.42 -176.51 3.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.83 0.348 . . . . 0.0 111.028 -175.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.22 30.89 44.3 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.067 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.8 mt -66.73 -58.41 5.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.667 0.27 . . . . 0.0 111.16 -177.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -117.24 -26.25 6.82 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.293 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.89 -71.58 0.43 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.891 0.377 . . . . 0.0 111.224 -177.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.5 m -81.56 76.52 8.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.959 0.409 . . . . 0.0 110.849 -178.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -76.45 86.95 3.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.087 0.47 . . . . 0.0 110.63 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -128.15 37.07 4.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.582 0.706 . . . . 0.0 109.74 177.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.3 p -93.5 -4.93 50.23 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.281 -175.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 72.37 -68.0 0.24 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.266 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -135.88 81.26 1.88 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.972 0.415 . . . . 0.0 110.425 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -127.5 65.66 1.33 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.246 0.546 . . . . 0.0 110.263 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -71.95 -32.94 67.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.214 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -88.7 22.92 2.45 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.936 -176.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.78 -2.43 56.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.152 0.501 . . . . 0.0 109.979 178.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.554 ' HD3' ' O ' ' A' ' 84' ' ' LYS . 11.1 tmtt? -60.41 -37.79 81.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.27 174.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.449 -179.668 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 112.106 -0.397 . . . . 0.0 112.106 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -88.74 150.62 46.27 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.426 ' O ' ' HD3' ' A' ' 17' ' ' ARG . 57.4 Cg_endo -78.54 87.1 1.58 Allowed 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.489 2.126 . . . . 0.0 111.448 177.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.82 4.73 53.35 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.36 -177.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 p -72.89 138.38 21.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 177.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.6 t80 68.28 -83.25 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.706 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.426 ' HD3' ' O ' ' A' ' 13' ' ' PRO . 45.4 mmm-85 39.82 65.53 0.71 Allowed 'General case' 0 N--CA 1.469 0.481 0 O-C-N 123.858 0.724 . . . . 0.0 111.919 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -153.36 171.03 19.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.926 -178.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.447 ' HB3' HD22 ' A' ' 46' ' ' LEU . 42.6 ttm180 -150.23 66.09 0.96 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 178.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.72 32.84 84.98 Favored Glycine 0 CA--C 1.503 -0.683 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.644 -176.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.84 HD22 HD11 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -75.95 117.51 17.75 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-O 121.298 0.57 . . . . 0.0 110.567 -176.441 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.4 p -74.69 171.41 13.95 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.039 173.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -55.79 -39.61 71.54 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 120.559 0.218 . . . . 0.0 111.018 -178.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -69.27 -40.87 77.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.751 -177.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.615 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 29.7 mt-10 -66.46 -43.29 85.9 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 176.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.569 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 61.8 t80 -67.44 -37.85 83.62 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.666 -178.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -63.27 -45.89 89.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.015 0.436 . . . . 0.0 109.979 176.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.432 ' HA ' ' CE ' ' A' ' 31' ' ' LYS . 53.8 tt0 -58.17 -43.78 87.65 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.472 175.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -57.95 -46.49 85.01 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.216 176.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.569 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 47.8 mtmt -60.08 -49.11 78.94 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 120.555 0.217 . . . . 0.0 110.961 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.432 ' CE ' ' HA ' ' A' ' 28' ' ' GLU . 40.5 mtmt -60.12 -41.24 92.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.597 178.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -64.17 -45.07 90.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.903 176.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.549 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 54.7 ttt180 -64.58 -34.18 77.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.484 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -64.58 -39.78 94.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.3 175.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.9 m -64.46 -21.39 66.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.064 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.52 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 3.0 mpt_? -100.75 9.22 42.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.843 178.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.67 30.21 77.32 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.611 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.6 -21.63 40.01 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.163 -178.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -80.03 63.44 4.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.936 0.398 . . . . 0.0 110.757 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.549 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 23.6 t80 -149.98 101.52 3.03 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 -177.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.5 163.9 26.48 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.385 -177.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.84 HD11 HD22 ' A' ' 21' ' ' LEU . 2.5 tp -60.42 -35.5 63.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.872 176.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -62.98 -38.85 92.78 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 120.85 0.357 . . . . 0.0 111.083 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -60.03 -40.86 90.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.643 176.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.402 ' O ' ' N ' ' A' ' 49' ' ' ARG . 81.6 t80 -72.03 -43.99 64.1 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.713 175.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.712 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 72.8 mt -59.99 -37.48 79.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.644 -174.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.95 -47.55 79.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.047 0.451 . . . . 0.0 110.324 174.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.62 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -65.03 -31.2 72.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.326 175.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.542 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 75.7 ttt-85 -65.04 -44.79 87.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.921 177.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.712 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 67.8 mm-40 -60.11 -26.29 66.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.172 177.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.573 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 4.2 mtt180 -79.02 -51.13 10.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.004 174.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.712 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 29.7 mm-40 -50.45 -38.29 42.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.509 -179.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' A' ' 49' ' ' ARG . 5.7 mm-40 -54.73 -49.24 71.27 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -177.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.07 -16.75 59.87 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.403 0.621 . . . . 0.0 110.713 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 48.0 mt -88.5 -18.55 27.94 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.177 -179.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.712 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 81.1 mt -83.21 -49.53 9.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.643 174.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.485 ' HB3' HG12 ' A' ' 64' ' ' ILE . 41.9 mt-10 -123.82 126.58 46.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.635 177.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.512 ' O ' HD13 ' A' ' 64' ' ' ILE . 76.3 mtm180 -63.99 120.21 11.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.711 -174.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -65.27 -21.13 66.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.259 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -84.24 -10.74 57.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.375 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -69.58 -68.39 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.382 -173.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 69' ' ' PHE . 35.8 tt0 -158.79 -92.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.476 -177.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -117.31 85.77 2.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.167 0.508 . . . . 0.0 111.017 -174.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.512 HD13 ' O ' ' A' ' 58' ' ' ARG . 4.9 mp -133.41 -50.12 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.89 0.852 . . . . 0.0 109.521 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.441 ' HD1' ' H ' ' A' ' 65' ' ' PHE . 11.3 p90 -78.66 157.96 28.5 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.602 -178.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 54.6 -128.09 41.6 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-N 116.0 -0.545 . . . . 0.0 113.618 173.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -109.99 8.75 24.25 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -175.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 153.77 -151.74 23.44 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 119.968 -1.11 . . . . 0.0 112.989 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.414 ' HA ' ' O ' ' A' ' 62' ' ' GLU . 9.4 p90 -91.72 64.85 4.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.455 0.645 . . . . 0.0 111.508 -175.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.92 46.11 3.43 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.19 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.2 mt -106.01 -155.76 0.55 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -71.95 -7.3 47.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.134 0.492 . . . . 0.0 110.633 178.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.85 -14.82 60.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.054 176.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -112.9 77.09 1.02 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.008 0.432 . . . . 0.0 111.555 178.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -77.0 -1.38 28.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.041 0.448 . . . . 0.0 110.691 177.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -64.69 -20.99 66.63 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.339 176.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.8 m -66.63 105.16 1.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.98 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.483 ' HA ' ' NE ' ' A' ' 78' ' ' ARG . 5.3 mmp_? -110.33 -25.48 10.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.684 177.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -133.14 27.58 4.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.788 -178.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.64 119.33 13.72 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.339 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 69.44 -67.87 0.21 Allowed 'General case' 0 N--CA 1.463 0.209 0 O-C-N 124.051 0.844 . . . . 0.0 110.404 -176.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 -80.26 93.82 5.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.003 0.43 . . . . 0.0 110.195 178.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.82 -27.66 5.38 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.467 0.651 . . . . 0.0 110.275 177.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 49.9 mmtm -105.04 129.75 53.4 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.431 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 34.1 tp . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.706 -0.664 . . . . 0.0 110.129 -179.466 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.731 0 N-CA-C 111.924 -0.47 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.539 ' HG3' ' O ' ' A' ' 19' ' ' ARG . 32.1 mmt180 -114.8 154.98 46.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 120.568 0.223 . . . . 0.0 111.048 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -75.87 125.92 9.07 Favored 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 122.448 2.099 . . . . 0.0 112.542 -178.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.64 -18.85 61.02 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.804 -176.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.5 p -57.05 -39.96 69.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.839 0.352 . . . . 0.0 111.107 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -110.34 -30.61 7.62 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.622 ' O ' HG21 ' A' ' 42' ' ' ILE . 27.6 tpt180 65.09 59.25 0.85 Allowed 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.047 -0.978 . . . . 0.0 111.037 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -29.19 70.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.749 178.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.539 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 34.5 ttt180 66.85 -65.2 0.22 Allowed 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.813 0.696 . . . . 0.0 111.002 -177.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.38 34.67 0.1 OUTLIER Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 177.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.731 HD22 HD11 ' A' ' 42' ' ' ILE . 4.1 mp -75.37 117.66 17.41 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.184 0.516 . . . . 0.0 111.314 -178.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.6 p -78.93 -179.08 6.4 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.607 172.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.05 -32.42 69.75 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.737 0.303 . . . . 0.0 110.997 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -79.67 -38.8 32.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.657 -176.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.609 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 34.2 mm-40 -67.62 -41.37 84.04 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 175.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.605 ' HA ' HD23 ' A' ' 21' ' ' LEU . 49.9 t80 -68.94 -31.07 69.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.563 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.471 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 24.1 t70 -69.01 -45.03 71.54 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 176.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -56.53 -46.0 80.84 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.355 173.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.44 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 62.9 t80 -57.95 -44.05 86.75 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.068 176.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.471 ' CE ' ' HA ' ' A' ' 27' ' ' ASP . 57.1 mtmt -62.66 -49.93 73.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.498 0.189 . . . . 0.0 111.075 178.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -59.02 -42.43 90.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.17 0.51 . . . . 0.0 110.351 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.517 ' O ' ' HD2' ' A' ' 36' ' ' ARG . 78.7 mtt180 -63.15 -51.36 66.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.991 175.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.522 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 41.0 ttt180 -62.64 -38.64 91.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.422 -176.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.32 -41.51 97.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.917 0.389 . . . . 0.0 110.066 176.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.9 t -63.05 -34.48 77.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.541 178.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.524 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 1.1 mpt_? -85.65 12.74 8.18 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.484 179.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.58 28.39 73.56 Favored Glycine 0 CA--C 1.517 0.16 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.675 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.06 -18.24 46.02 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.251 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -83.5 57.8 4.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.365 0.602 . . . . 0.0 110.587 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.524 ' HB2' ' HB2' ' A' ' 36' ' ' ARG . 18.0 t80 -139.37 102.29 4.45 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.359 -178.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.15 165.63 20.36 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.077 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.731 HD11 HD22 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -66.67 -34.1 67.81 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.096 -176.577 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -63.09 -36.06 82.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.592 0.234 . . . . 0.0 110.736 -176.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.418 ' OD1' ' HE1' ' A' ' 40' ' ' TYR . 4.0 t70 -64.84 -34.87 79.39 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.885 -0.784 . . . . 0.0 108.885 176.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.483 ' CE2' ' HD2' ' A' ' 49' ' ' ARG . 87.3 t80 -72.28 -48.65 40.86 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.482 174.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.619 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 90.7 mt -60.18 -36.35 77.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.805 -174.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 50' ' ' GLU . . . -64.27 -43.92 93.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.008 0.432 . . . . 0.0 110.818 177.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.55 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 20.6 t70 -70.86 -36.29 72.77 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 175.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.483 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 30.4 ttt180 -59.17 -33.99 71.58 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.301 175.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.619 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 5.5 mm-40 -63.63 -40.33 96.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.342 175.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.639 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 19.5 mtt180 -68.33 -33.76 74.89 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.614 179.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.737 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 45.2 mt-10 -58.86 -32.84 69.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.275 -175.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -57.16 -44.33 83.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.593 0.235 . . . . 0.0 111.457 -176.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -80.97 -16.0 54.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.955 0.407 . . . . 0.0 110.845 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 54.9 mt -83.26 -31.85 26.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.028 178.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.737 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 84.4 mt -71.79 -56.25 6.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.72 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -95.91 172.19 8.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.598 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.4 ' CB ' HG21 ' A' ' 64' ' ' ILE . 40.1 ptt180 -162.52 -169.76 2.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.014 0.435 . . . . 0.0 111.538 -175.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.5 t70 70.02 -93.1 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 114.943 -1.026 . . . . 0.0 112.518 167.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -90.12 -9.7 47.36 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.66 0.244 . . . . 0.0 111.66 -172.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -56.87 -71.47 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -176.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.632 ' H ' ' CD1' ' A' ' 64' ' ' ILE . 41.5 tt0 -174.51 95.45 0.09 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.633 0.254 . . . . 0.0 111.315 -178.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 57.57 54.73 6.17 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 171.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.632 ' CD1' ' H ' ' A' ' 62' ' ' GLU . 5.1 mp -107.82 -33.14 2.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.506 0.67 . . . . 0.0 109.795 176.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -81.0 -16.25 53.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.302 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -159.21 -157.02 8.31 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -178.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -89.54 -18.1 27.3 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.94 0.4 . . . . 0.0 110.617 -178.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -132.17 -173.45 13.33 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.185 -178.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -138.59 178.56 7.06 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 100.03 -20.92 46.98 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.833 -178.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.412 HD22 ' H ' ' A' ' 71' ' ' LEU . 2.9 mm? -66.68 -31.14 71.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.391 0.615 . . . . 0.0 109.687 176.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -138.29 110.31 7.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.853 174.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -161.45 -48.17 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.388 178.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.4 m -86.51 -23.05 26.06 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.071 0.462 . . . . 0.0 110.58 178.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 65.14 9.85 5.89 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.705 178.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.585 ' NE ' ' HA ' ' A' ' 76' ' ' ARG . 7.7 mmp_? 56.83 43.55 24.79 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.466 -175.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.2 p -67.3 86.27 0.17 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.054 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -107.85 122.9 47.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.016 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp 60.54 36.95 19.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.303 0.573 . . . . 0.0 109.677 -175.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -135.03 74.9 1.54 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.896 -175.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -81.45 66.71 7.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.116 0.484 . . . . 0.0 110.983 -178.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -133.18 124.03 26.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.424 178.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.36 -19.03 16.48 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.18 0.514 . . . . 0.0 110.378 178.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -79.64 -38.49 33.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.431 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.49 ' HG ' ' OXT' ' A' ' 85' ' ' LEU . 1.6 pt? . . . . . 0 C--O 1.249 1.04 0 CA-C-O 117.871 -1.062 . . . . 0.0 110.387 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -91.38 148.14 36.95 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.704 0.252 . . . . 0.0 110.784 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -57.91 -66.21 0.08 OUTLIER 'Trans proline' 0 C--O 1.237 0.439 0 C-N-CA 122.521 2.147 . . . . 0.0 111.308 174.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.33 110.25 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.896 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.354 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.0 m -85.52 170.98 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 172.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.5 t80 56.63 51.01 11.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.767 0.794 . . . . 0.0 109.768 -178.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -68.47 -29.59 68.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.449 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 p -142.98 150.73 40.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.845 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -98.73 53.46 1.01 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.668 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.68 44.85 96.55 Favored Glycine 0 CA--C 1.505 -0.584 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 -174.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.643 HD22 HD11 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -77.51 120.26 22.24 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.403 -0.398 . . . . 0.0 110.472 -175.727 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.8 p -76.08 174.91 9.44 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.475 177.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -58.37 -37.65 75.65 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 121.094 -0.242 . . . . 0.0 111.583 -176.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -65.59 -52.72 50.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.712 0.292 . . . . 0.0 110.987 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.632 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 23.2 mt-10 -59.8 -46.67 88.49 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.247 0.546 . . . . 0.0 110.027 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.521 ' HA ' HD23 ' A' ' 21' ' ' LEU . 51.6 t80 -65.2 -28.56 69.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.867 -178.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.426 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 27.8 t70 -73.68 -41.0 63.25 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -64.04 -37.3 86.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.551 0.691 . . . . 0.0 109.237 173.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.404 ' HB3' ' HA ' ' A' ' 26' ' ' TYR . 19.4 t80 -64.05 -46.99 81.91 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.836 -1.074 . . . . 0.0 110.833 175.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 57.3 mtmt -59.51 -46.72 88.0 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 121.1 0.476 . . . . 0.0 109.784 175.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -53.09 -54.38 36.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.653 176.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.415 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 91.4 mtt180 -63.33 -37.67 88.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.503 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.59 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 19.9 ttt180 -72.67 -31.38 65.03 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.418 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -64.34 -41.09 96.96 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 174.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.1 m -60.82 -18.45 55.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.582 177.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.5 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 7.0 mpt_? -108.91 9.2 26.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.309 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.21 32.45 80.68 Favored Glycine 0 C--N 1.329 0.165 0 C-N-CA 121.1 -0.571 . . . . 0.0 112.483 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.19 -19.75 52.64 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.254 -178.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -79.67 55.97 2.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.314 0.578 . . . . 0.0 111.028 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.59 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 18.9 t80 -147.46 102.05 3.42 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -178.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.48 172.45 10.99 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.211 -178.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.653 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 3.5 tp -60.89 -33.5 55.77 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.156 -178.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.75 -39.92 94.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.658 0.266 . . . . 0.0 111.111 -178.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.43 -38.31 83.67 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.45 0.643 . . . . 0.0 109.316 175.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.506 ' CE2' HD21 ' A' ' 21' ' ' LEU . 93.0 t80 -70.61 -47.51 59.79 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.453 176.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 88.3 mt -59.8 -33.05 71.22 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 123.543 0.527 . . . . 0.0 110.76 -177.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.3 93.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.025 174.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.443 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 3.4 t70 -77.3 -32.39 55.38 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 177.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.407 ' HB3' ' HA ' ' A' ' 46' ' ' LEU . 77.2 ttt-85 -64.25 -38.47 91.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.318 177.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -58.25 -29.49 65.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.42 173.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.516 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 6.8 mtt180 -86.35 -27.21 24.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.704 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.627 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 41.1 mt-10 -60.02 -17.68 40.61 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -174.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -57.16 -41.83 79.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.767 0.318 . . . . 0.0 110.721 177.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 12.3 pt-20 -88.2 -18.12 29.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.166 0.508 . . . . 0.0 110.71 177.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 48.7 mt -82.44 -6.43 59.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.591 -176.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.627 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 98.0 mt -71.13 -18.89 62.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.264 0.554 . . . . 0.0 109.749 173.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -117.24 81.63 1.68 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.371 177.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 4.3 mmp_? -110.19 128.79 55.68 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.104 178.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -69.4 -13.54 62.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.073 -178.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -85.04 -12.91 52.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.113 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -94.22 -71.76 0.65 Allowed 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.606 -176.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.461 ' C ' HD12 ' A' ' 64' ' ' ILE . 4.9 tt0 -134.72 -161.75 1.18 Allowed 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.072 -173.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.88 60.85 2.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.929 0.395 . . . . 0.0 111.809 -174.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.461 HD12 ' C ' ' A' ' 62' ' ' GLU . 5.3 mp -98.12 -25.4 4.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.334 0.588 . . . . 0.0 110.27 178.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -87.24 38.97 0.84 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.668 -175.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.95 -98.43 1.48 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.426 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -82.29 -164.49 0.83 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.565 0.222 . . . . 0.0 111.098 -177.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.25 173.88 8.05 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.952 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -110.81 115.59 29.8 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.24 0.543 . . . . 0.0 111.412 -175.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.86 22.24 41.24 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.635 -0.793 . . . . 0.0 111.576 175.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.7 mt -105.01 -67.53 0.91 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.494 0.188 . . . . 0.0 110.965 -177.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -65.97 -27.98 68.55 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.219 0.533 . . . . 0.0 109.901 177.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.86 76.56 3.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.8 175.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 29.3 p -65.46 -33.77 76.73 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.95 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 51.32 63.65 2.16 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.192 0.52 . . . . 0.0 110.355 -178.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -78.12 -174.39 3.62 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.843 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.4 m -66.14 89.04 0.12 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.143 0.497 . . . . 0.0 110.694 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -77.1 -30.34 55.29 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.34 -177.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -100.97 46.53 0.94 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.584 179.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.8 -65.52 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.798 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -130.49 -62.6 0.92 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.625 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 51.97 59.42 4.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.682 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.76 -27.71 60.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.442 0.639 . . . . 0.0 109.319 174.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -106.97 -171.66 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.321 174.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.8 mp . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.542 -178.189 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 111.937 -0.465 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.428 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 24.2 mtm180 -74.26 146.38 84.26 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 120.489 0.185 . . . . 0.0 111.064 -178.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 12' ' ' ARG . 11.6 Cg_exo -71.11 -177.15 2.15 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 123.088 2.525 . . . . 0.0 111.873 177.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.11 26.48 1.2 Allowed Glycine 0 CA--C 1.519 0.286 0 CA-C-N 115.994 -0.548 . . . . 0.0 113.318 -177.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.403 ' H ' ' C ' ' A' ' 13' ' ' PRO . 27.5 m -93.27 -19.5 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.373 0.606 . . . . 0.0 109.952 175.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -168.02 81.76 0.18 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.858 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -99.22 104.47 16.42 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.134 176.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.444 ' O ' ' HB3' ' A' ' 19' ' ' ARG . 1.0 OUTLIER -65.66 -29.89 70.52 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -176.534 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.444 ' HB3' ' O ' ' A' ' 18' ' ' THR . 58.1 ttt180 69.3 -62.49 0.41 Allowed 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.702 0.627 . . . . 0.0 110.512 -175.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -179.61 38.19 0.07 OUTLIER Glycine 0 N--CA 1.444 -0.796 0 N-CA-C 110.304 -1.118 . . . . 0.0 110.304 177.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.716 HD22 HD11 ' A' ' 42' ' ' ILE . 1.5 mp -74.12 114.09 12.07 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.061 0.457 . . . . 0.0 111.186 -176.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.5 p -75.65 175.21 8.82 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.426 173.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -56.89 -39.2 73.95 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.513 0.197 . . . . 0.0 111.19 -177.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -68.09 -40.9 82.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.653 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.622 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 38.8 mm-40 -64.25 -47.86 78.02 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.333 0.587 . . . . 0.0 109.764 176.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.591 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 70.0 t80 -64.33 -37.92 89.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.866 -177.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.509 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 36.2 t70 -62.97 -43.93 97.44 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.21 178.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -62.05 -44.63 96.27 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.552 0.691 . . . . 0.0 109.709 176.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -57.31 -42.08 81.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.165 176.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.591 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 50.3 mtmt -61.76 -50.59 71.78 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 120.857 0.361 . . . . 0.0 110.238 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -55.25 -45.75 76.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.516 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.56 ' O ' ' HD2' ' A' ' 36' ' ' ARG . 98.7 mtt180 -64.29 -44.96 90.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.113 178.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.581 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 13.4 ttt180 -63.9 -41.79 97.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -62.91 -39.41 94.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.917 0.389 . . . . 0.0 110.276 175.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.0 t -61.84 -28.28 69.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.578 177.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.59 ' HD3' ' CD1' ' A' ' 40' ' ' TYR . 2.1 mpt_? -94.81 16.55 15.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 177.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.29 25.79 71.35 Favored Glycine 0 C--N 1.333 0.397 0 C-N-CA 121.376 -0.44 . . . . 0.0 112.874 177.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.96 -15.28 62.21 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.07 -178.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -86.93 69.68 10.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.101 0.476 . . . . 0.0 110.378 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.59 ' CD1' ' HD3' ' A' ' 36' ' ' ARG . 13.9 t80 -152.87 107.04 3.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.824 -177.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.89 165.92 21.37 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.489 -0.485 . . . . 0.0 110.657 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.716 HD11 HD22 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -64.58 -33.41 62.93 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.004 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.937 176.634 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.79 -37.42 86.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.978 0.418 . . . . 0.0 110.311 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -65.14 -33.89 77.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.708 175.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.45 ' CE2' ' HD2' ' A' ' 49' ' ' ARG . 84.9 t80 -73.8 -43.02 60.11 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.284 174.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.653 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 92.5 mt -65.99 -31.67 72.72 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.792 -175.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 50' ' ' GLU . . . -72.3 -39.16 68.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.844 0.354 . . . . 0.0 110.787 176.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.613 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 13.6 t70 -72.43 -33.13 66.87 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 174.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.45 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 57.0 ttt-85 -62.4 -36.99 84.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.268 176.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.653 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 9.3 mm-40 -54.04 -33.61 57.8 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.163 173.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.541 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 30.3 mtt180 -85.54 -39.99 16.8 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.844 178.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.639 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 45.1 mt-10 -54.34 -43.14 70.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.128 -176.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -60.5 -32.83 71.81 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -175.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 12.0 pt-20 -87.85 -17.11 32.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.203 0.525 . . . . 0.0 110.658 176.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 96.3 mt -91.14 -12.4 35.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.462 -178.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 95.4 mt -61.81 -52.93 62.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.357 . . . . 0.0 110.668 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -111.99 136.35 51.45 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.011 175.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.534 ' O ' HD13 ' A' ' 64' ' ' ILE . 4.8 ptm180 -157.46 123.91 4.91 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.474 0.654 . . . . 0.0 110.629 -178.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.491 ' OD1' ' HB3' ' A' ' 65' ' ' PHE . 22.4 m-20 -56.27 -24.88 45.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.92 -178.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -63.65 -38.0 89.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.886 -176.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -76.87 -15.94 59.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.972 -174.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.561 ' OE2' ' HG ' ' A' ' 71' ' ' LEU . 32.5 tt0 69.33 150.33 0.08 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.531 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 62' ' ' GLU . . . 78.83 16.37 1.05 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.694 0.798 . . . . 0.0 111.867 178.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.534 HD13 ' O ' ' A' ' 58' ' ' ARG . 4.6 mp -109.65 -54.65 5.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 172.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.491 ' HB3' ' OD1' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -65.53 158.49 26.86 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.464 -1.243 . . . . 0.0 110.511 174.387 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.77 -0.5 83.73 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.17 -0.538 . . . . 0.0 113.871 -170.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -141.14 125.68 17.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.963 0.381 . . . . 0.0 110.864 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.79 38.67 3.58 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.989 175.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -126.76 131.03 51.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 117.268 0.534 . . . . 0.0 111.148 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -121.57 -10.3 6.6 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.889 176.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.561 ' HG ' ' OE2' ' A' ' 62' ' ' GLU . 90.3 mt -63.05 -52.93 60.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.818 0.342 . . . . 0.0 110.908 177.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -106.42 59.53 0.64 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.048 178.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.47 66.77 5.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.306 0.574 . . . . 0.0 111.06 -177.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 54.9 m -75.14 113.09 12.09 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.181 177.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -70.75 98.73 1.59 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.912 0.387 . . . . 0.0 110.631 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -90.28 29.3 1.27 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.18 0.514 . . . . 0.0 109.858 176.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.4 p -67.75 -52.19 40.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.619 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 59.6 -90.17 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.317 177.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -83.76 -16.43 44.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.174 0.512 . . . . 0.0 110.0 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.48 51.87 2.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.817 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -102.9 9.07 39.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.448 178.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -75.65 -47.76 25.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.366 -178.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 69.63 -63.81 0.37 Allowed 'General case' 0 N--CA 1.465 0.297 0 O-C-N 124.274 0.984 . . . . 0.0 111.282 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -161.8 120.54 2.36 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.479 -0.772 . . . . 0.0 109.342 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.814 0 N-CA-C 111.859 -0.496 . . . . 0.0 111.859 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 12' ' ' ARG . 1.7 ptt180 -153.45 168.08 12.29 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -69.61 -72.91 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.052 1.835 . . . . 0.0 111.38 171.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 59.62 42.06 97.64 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.105 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.5 m -64.33 -27.78 43.42 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 CA-C-O 121.462 0.648 . . . . 0.0 109.905 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -137.79 127.75 25.68 Favored 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 172.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -80.31 69.73 6.81 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.535 0.683 . . . . 0.0 110.656 -178.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.619 ' O ' HD13 ' A' ' 21' ' ' LEU . 2.3 p -139.63 -50.78 0.5 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.783 177.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 46' ' ' LEU . 38.9 ttm180 68.72 49.94 0.68 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.442 0.639 . . . . 0.0 109.723 -175.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.58 47.18 91.45 Favored Glycine 0 C--N 1.331 0.252 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.947 177.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.8 HD22 HD11 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -79.58 125.83 30.11 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.876 0.369 . . . . 0.0 110.062 178.199 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.4 p -82.63 175.57 10.06 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.922 176.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -56.87 -38.72 73.12 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.619 0.247 . . . . 0.0 111.017 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -69.26 -46.56 66.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 -178.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.637 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 40.3 mm-40 -59.75 -48.5 81.42 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.431 0.634 . . . . 0.0 109.971 176.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.587 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 60.3 t80 -63.71 -33.34 75.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.708 -177.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.465 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 33.4 t70 -69.82 -42.73 73.25 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.332 178.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -60.92 -40.76 94.41 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 174.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -60.72 -47.47 86.14 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.867 175.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.587 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 58.4 mtmt -59.93 -48.01 83.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.207 0.527 . . . . 0.0 109.776 176.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -52.31 -48.03 65.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.764 176.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -69.52 -39.92 77.25 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.644 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.605 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 14.8 ttt180 -67.89 -40.33 83.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.08 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -62.24 -37.2 84.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.948 0.404 . . . . 0.0 109.997 175.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.0 t -66.13 -22.29 66.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.728 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.552 ' HD3' ' CD1' ' A' ' 40' ' ' TYR . 5.7 mpt_? -99.19 12.2 36.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.846 0.355 . . . . 0.0 110.721 176.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.61 26.0 73.81 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 121.132 -0.556 . . . . 0.0 112.842 178.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.97 -9.6 76.25 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.43 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.0 68.96 4.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.477 0.656 . . . . 0.0 109.992 178.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.605 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 20.1 t80 -152.48 101.44 2.66 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.025 -177.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.59 168.45 19.76 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.191 -177.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.8 HD11 HD22 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -63.33 -32.55 56.9 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.897 0 C-N-CA 120.306 -0.558 . . . . 0.0 109.882 177.718 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.34 -35.91 82.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.65 0.262 . . . . 0.0 110.953 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -63.31 -32.77 74.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.396 0.617 . . . . 0.0 109.444 174.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.495 ' CE2' ' HD2' ' A' ' 49' ' ' ARG . 90.3 t80 -76.56 -46.66 25.42 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.543 175.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 86.6 mt -64.59 -36.71 85.12 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 123.282 0.633 . . . . 0.0 111.791 -175.038 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.91 -38.61 89.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.931 0.396 . . . . 0.0 110.465 176.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.529 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 26.9 t70 -74.56 -35.0 63.07 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 176.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.495 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 29.9 ttt180 -61.22 -35.02 76.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.104 177.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 41.0 mm-40 -62.1 -29.67 70.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.773 174.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.554 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 40.2 mtt180 -86.59 -24.05 25.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.577 178.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.74 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 34.6 mt-10 -67.13 -17.81 65.02 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.147 -176.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.62 -42.68 93.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.963 0.411 . . . . 0.0 110.548 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -86.49 -16.34 37.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.418 176.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.566 ' HB2' ' HA ' ' A' ' 52' ' ' GLU . 76.0 mt -85.46 -20.89 29.08 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.727 0.298 . . . . 0.0 111.137 179.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.74 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 56.7 mt -68.16 -32.14 72.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.156 0.503 . . . . 0.0 109.892 175.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.576 ' HA ' HG12 ' A' ' 64' ' ' ILE . 6.0 pt-20 -94.95 55.45 1.84 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.326 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -95.97 -74.98 0.54 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.251 177.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.418 ' HA ' ' HB ' ' A' ' 64' ' ' ILE . 0.7 OUTLIER -162.51 -83.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -175.456 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -67.34 -22.09 65.61 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 123.154 0.581 . . . . 0.0 111.207 -178.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -50.46 -66.21 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.229 -173.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -160.9 79.38 0.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.08 0.467 . . . . 0.0 111.356 -177.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.552 ' HA ' ' O ' ' A' ' 68' ' ' GLY . . . 55.89 71.23 0.57 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.419 -0.81 . . . . 0.0 113.037 172.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.576 HG12 ' HA ' ' A' ' 57' ' ' GLU . 5.1 mp -117.95 -37.56 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.456 0.646 . . . . 0.0 110.506 175.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 71' ' ' LEU . 32.6 p90 -77.36 6.73 6.32 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.595 -178.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 161.55 -178.08 37.59 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 110.421 -1.071 . . . . 0.0 110.421 -178.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -83.13 64.6 7.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.671 0.748 . . . . 0.0 109.991 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.552 ' O ' ' HA ' ' A' ' 63' ' ' ALA . . . 164.77 170.65 30.01 Favored Glycine 0 N--CA 1.442 -0.913 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.116 -179.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -120.09 32.5 6.01 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.358 0.599 . . . . 0.0 110.345 -177.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.3 63.6 4.3 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.366 -179.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 65' ' ' PHE . 26.5 tp -131.88 51.19 2.17 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt 64.1 28.75 14.22 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.685 -178.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.19 -28.01 24.18 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.654 -178.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.0 p -84.68 122.96 29.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.821 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -95.16 -3.13 48.41 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.399 0.619 . . . . 0.0 109.92 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -115.51 -65.53 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.514 178.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.5 p -85.83 64.94 8.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.029 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -106.21 121.16 43.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.805 177.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.8 mttm 54.61 40.77 32.08 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.523 0.677 . . . . 0.0 110.597 -176.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -143.16 106.5 4.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.346 -178.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -92.66 -22.46 19.43 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -76.81 125.6 29.55 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -93.52 -11.95 30.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.846 0.355 . . . . 0.0 111.27 -176.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -86.88 38.61 0.81 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.033 0.444 . . . . 0.0 110.908 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.3 mt . . . . . 0 C--O 1.243 0.739 0 CA-C-O 118.689 -0.672 . . . . 0.0 110.023 179.474 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.798 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.462 ' HG2' ' OD2' ' A' ' 43' ' ' ASP . 17.8 mmt180 -86.47 146.31 41.63 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 121.319 0.581 . . . . 0.0 111.376 -176.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -79.36 52.29 4.22 Favored 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 123.648 2.899 . . . . 0.0 113.334 -176.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.99 -19.53 6.41 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 121.096 -0.573 . . . . 0.0 113.591 175.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.1 m -67.72 -39.66 82.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -175.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.441 ' HB3' ' HG3' ' A' ' 12' ' ' ARG . 30.7 t80 -109.24 -66.59 1.05 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.706 0.289 . . . . 0.0 110.33 -177.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.499 ' O ' HG21 ' A' ' 42' ' ' ILE . 34.6 mmt180 64.93 -90.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.1 -178.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 p -121.74 132.89 54.87 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.291 0.567 . . . . 0.0 111.934 -175.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -88.01 53.28 2.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.773 174.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.49 56.34 10.16 Favored Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.952 -175.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.698 HD22 HD11 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -82.74 113.27 20.28 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.789 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.4 p -67.52 171.27 6.36 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.584 178.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -58.24 -36.76 73.68 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.205 -176.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.5 -43.7 72.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.755 -0.202 . . . . 0.0 111.265 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.595 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 55.0 mm-40 -63.19 -45.34 92.2 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.106 0.479 . . . . 0.0 109.828 177.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.515 ' CE2' ' HD2' ' A' ' 30' ' ' LYS . 62.6 t80 -67.39 -40.55 85.68 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.522 -178.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.475 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 24.3 t70 -61.43 -45.73 93.06 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -59.75 -49.47 77.61 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.886 176.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.406 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 11.9 t80 -49.69 -46.74 50.32 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.191 174.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.515 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 21.6 mtpp -61.43 -46.46 90.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.288 178.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -63.62 -40.13 96.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.415 0.626 . . . . 0.0 110.394 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -67.77 -39.5 84.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.635 177.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.592 ' HA ' ' HB3' ' A' ' 40' ' ' TYR . 30.5 ttt180 -67.38 -35.57 79.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.387 176.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -61.06 -40.04 92.15 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.078 176.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.9 m -66.8 -18.09 65.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.401 179.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.538 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 4.8 mpt_? -102.79 11.67 37.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.636 177.039 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.32 30.91 77.49 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.405 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.34 -21.62 39.51 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.425 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -79.53 61.93 3.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.201 0.524 . . . . 0.0 111.403 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.592 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . 25.1 t80 -154.59 94.92 1.73 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.523 -0.762 . . . . 0.0 108.967 -175.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.4 p -76.8 174.31 10.65 Favored 'General case' 0 CA--C 1.492 -1.275 0 C-N-CA 119.3 -0.96 . . . . 0.0 111.093 -176.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.712 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 5.1 tp -59.43 -35.47 58.84 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.784 0 CA-C-N 114.563 -1.199 . . . . 0.0 109.571 177.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.462 ' OD2' ' HG2' ' A' ' 12' ' ' ARG . 10.3 m-20 -66.33 -39.56 89.34 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.271 -178.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -60.78 -33.38 72.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.402 0.62 . . . . 0.0 109.434 177.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.565 ' CE2' ' HD2' ' A' ' 49' ' ' ARG . 89.6 t80 -78.43 -46.57 19.49 Favored 'General case' 0 C--O 1.214 -0.782 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.243 175.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.712 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 83.6 mt -61.28 -44.84 96.58 Favored 'General case' 0 C--O 1.219 -0.531 0 C-N-CA 123.002 0.521 . . . . 0.0 112.042 -175.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.52 -36.56 82.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.92 0.39 . . . . 0.0 111.07 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.609 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 27.9 t70 -79.83 -35.95 37.55 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.565 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 63.5 ttt-85 -58.1 -41.54 83.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.013 175.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 6.3 mm-40 -51.91 -43.72 63.51 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.078 173.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.605 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 22.4 mtt180 -66.8 -45.88 76.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.416 175.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.609 ' HG3' ' O ' ' A' ' 48' ' ' ASP . 34.9 mt-10 -56.65 -40.05 74.79 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.928 -175.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -64.72 -31.99 73.47 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -177.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 13.3 pt-20 -86.87 -17.84 32.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.309 0.576 . . . . 0.0 109.978 177.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 89.8 mt -90.44 -4.31 57.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.649 179.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 82.8 mt -67.65 -60.32 2.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.23 0.538 . . . . 0.0 110.412 177.303 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.501 ' HB2' HG21 ' A' ' 64' ' ' ILE . 4.3 pt-20 -71.88 88.0 1.02 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.138 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.5 mtm180 -101.58 44.65 1.0 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.602 -178.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.1 t70 62.15 -83.16 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 O-C-N 123.628 0.58 . . . . 0.0 112.225 171.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -74.07 -9.26 58.45 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -174.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -44.36 -47.55 9.67 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.13 0.491 . . . . 0.0 111.029 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -149.1 -80.08 0.13 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.401 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.83 41.19 0.58 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.726 0.298 . . . . 0.0 111.308 -178.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.501 HG21 ' HB2' ' A' ' 57' ' ' GLU . 2.5 mp -95.11 64.61 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.216 -179.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -164.88 23.83 0.06 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.053 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -139.98 -154.83 6.4 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.794 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -79.67 -9.3 59.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.296 0.57 . . . . 0.0 109.986 178.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -175.7 -167.72 35.06 Favored Glycine 0 N--CA 1.442 -0.922 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -106.61 18.88 21.3 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.168 0.509 . . . . 0.0 110.547 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.28 55.48 4.75 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.182 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.0 tt -78.58 -67.83 0.7 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -96.56 -44.25 7.24 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.75 92.05 8.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.77 176.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 36.1 p -77.83 -43.75 29.45 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.011 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 54.47 65.22 1.56 Allowed 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.166 0.507 . . . . 0.0 110.459 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -90.71 -49.36 6.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.408 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.5 p -87.21 65.99 9.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.467 0.651 . . . . 0.0 110.346 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.7 mtm180 -70.85 -31.75 68.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.391 -178.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -77.38 -18.98 56.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.516 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.75 -39.97 80.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.26 0.552 . . . . 0.0 109.617 173.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -69.68 -49.09 56.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.719 174.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -79.66 71.48 6.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.042 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -85.68 5.73 30.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.211 -175.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -104.74 -71.93 0.72 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.165 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 92.6 mt . . . . . 0 C--O 1.251 1.183 0 O-C-N 123.657 0.598 . . . . 0.0 111.153 -177.692 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 111.978 -0.449 . . . . 0.0 111.978 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 69.1 99.72 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.941 0.877 . . . . 0.0 112.055 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -90.41 179.62 1.85 Allowed 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 124.374 3.383 . . . . 0.0 112.441 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.468 ' HA2' ' HB2' ' A' ' 17' ' ' ARG . . . 73.88 27.9 65.9 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.118 -0.563 . . . . 0.0 112.458 178.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.463 HG23 ' CD2' ' A' ' 16' ' ' PHE . 29.3 m -79.61 -36.32 17.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 111.584 0.216 . . . . 0.0 111.584 -177.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.463 ' CD2' HG23 ' A' ' 15' ' ' VAL . 12.7 p90 -135.14 15.6 3.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.023 0.44 . . . . 0.0 111.223 175.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.468 ' HB2' ' HA2' ' A' ' 14' ' ' GLY . 4.8 mpt_? -74.18 122.22 22.44 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.5 p -65.37 -21.66 66.71 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.243 -172.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.488 ' HD3' HD22 ' A' ' 46' ' ' LEU . 74.5 ttt180 65.1 11.21 6.97 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.264 0.554 . . . . 0.0 110.626 177.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.26 34.28 14.87 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.85 -174.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.767 HD22 HD11 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -64.86 118.01 8.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.975 0.417 . . . . 0.0 110.892 179.224 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.3 p -72.07 169.35 16.2 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.872 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -55.71 -41.87 74.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.486 0.184 . . . . 0.0 111.209 -175.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -62.19 -47.69 83.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.412 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.614 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 43.2 mm-40 -61.05 -47.8 84.72 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.401 0.62 . . . . 0.0 109.893 178.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.53 ' HA ' HD23 ' A' ' 21' ' ' LEU . 67.7 t80 -63.68 -31.23 72.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.59 -178.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.474 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 25.4 t70 -67.45 -45.84 74.83 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.179 177.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -60.85 -41.81 96.6 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 175.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -57.28 -44.77 84.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.159 175.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 57.7 mtmt -61.6 -47.83 83.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.033 0.444 . . . . 0.0 110.739 178.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -60.12 -37.84 81.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.676 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -72.87 -37.53 67.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.126 177.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.577 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 35.5 ttt180 -69.97 -36.11 74.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.671 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -60.02 -43.8 95.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.033 173.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.0 t -58.33 -32.34 68.41 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.208 178.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.593 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 9.0 mpt_? -91.58 8.4 36.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.175 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.28 29.01 73.81 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 121.202 -0.523 . . . . 0.0 112.471 179.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.38 -27.72 16.07 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.18 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -81.81 70.38 8.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.396 0.617 . . . . 0.0 110.72 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.593 ' HB2' ' HB2' ' A' ' 36' ' ' ARG . 30.6 t80 -146.81 108.03 4.23 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.478 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.42 173.13 12.31 Favored 'General case' 0 CA--C 1.499 -0.997 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.569 178.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.767 HD11 HD22 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -71.82 -27.09 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.507 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.082 179.524 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.94 -35.16 77.95 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.637 -176.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.461 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 5.9 t70 -69.14 -34.37 74.91 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 177.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.451 ' CE2' ' HD2' ' A' ' 49' ' ' ARG . 91.4 t80 -69.12 -47.65 64.55 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.237 173.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 80.1 mt -64.34 -32.19 73.69 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.416 -176.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.9 -40.12 72.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.723 0.297 . . . . 0.0 110.569 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.597 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 10.5 t70 -73.67 -33.05 64.28 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 175.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.451 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 39.5 ttt-85 -61.84 -35.61 78.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.076 176.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.637 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 7.2 mm-40 -59.96 -34.65 73.55 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.136 174.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.515 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 35.7 mtt180 -74.71 -40.3 61.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.397 175.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.742 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 41.9 mt-10 -59.12 -31.39 68.89 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.754 -176.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -50.49 -42.63 54.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.872 0.368 . . . . 0.0 111.839 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 12.1 pt-20 -88.0 -17.33 31.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.083 0.468 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 72.2 mt -90.53 -11.31 40.51 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.249 -175.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.742 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 78.7 mt -71.67 -174.64 1.17 Allowed 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.964 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 62.47 -156.42 0.34 Allowed 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.181 -174.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.505 ' HD2' ' N ' ' A' ' 58' ' ' ARG . 8.1 mpt_? -80.02 162.35 24.92 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.052 0.453 . . . . 0.0 110.465 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -138.91 -64.64 0.5 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.138 -177.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -80.69 -10.85 59.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.603 -176.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.55 -71.04 0.13 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.976 -175.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.48 ' H ' ' CD1' ' A' ' 64' ' ' ILE . 40.7 tt0 -166.48 94.03 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.762 0.315 . . . . 0.0 111.719 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 50.4 62.23 2.79 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 169.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.48 ' CD1' ' H ' ' A' ' 62' ' ' GLU . 4.6 mp -109.78 -25.67 3.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.468 0.651 . . . . 0.0 110.525 177.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -95.65 13.18 27.18 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.067 -174.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 155.26 -165.56 32.36 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.965 -0.636 . . . . 0.0 111.679 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -78.55 112.09 15.27 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.74 -167.34 54.84 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.282 -175.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -141.32 -67.44 0.4 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 117.166 0.483 . . . . 0.0 111.065 176.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 56.04 27.76 52.09 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.887 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 61.3 tp -93.32 -53.66 4.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.08 0.467 . . . . 0.0 110.022 -179.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -151.01 155.12 38.39 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.738 179.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -138.21 176.3 8.82 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 177.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.3 p 47.58 58.81 4.59 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 123.688 0.617 . . . . 0.0 111.375 -177.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 75' ' ' ARG . 48.1 mtp180 -77.11 71.0 3.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.336 -178.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -114.09 140.68 48.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.83 -176.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 m -81.9 82.61 7.48 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.029 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.6 mtp180 -68.79 -43.24 76.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.614 -174.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -79.5 -14.2 59.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.736 0.303 . . . . 0.0 111.579 -176.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.24 -22.86 54.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.379 0.609 . . . . 0.0 110.025 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -101.07 -66.69 0.9 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.245 177.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -89.56 83.48 6.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.216 0.531 . . . . 0.0 109.86 -177.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.67 -33.52 35.45 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.227 -176.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.2 118.47 1.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.064 179.04 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 91.3 mt . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.663 -0.684 . . . . 0.0 110.302 -178.626 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.8 0 N-CA-C 111.907 -0.477 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -93.99 133.76 27.11 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-O 120.74 0.305 . . . . 0.0 110.985 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -89.46 174.82 3.42 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 123.265 2.643 . . . . 0.0 112.669 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.69 117.45 1.5 Allowed Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.7 m -68.8 -37.36 77.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.231 0.538 . . . . 0.0 110.032 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -101.02 89.66 3.9 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 174.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.557 ' HG3' ' H ' ' A' ' 18' ' ' THR . 20.9 tpt180 -89.87 -142.87 0.16 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.609 -171.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.557 ' H ' ' HG3' ' A' ' 17' ' ' ARG . 1.6 p -80.37 128.54 33.67 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -173.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -82.78 58.02 4.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.363 0.602 . . . . 0.0 110.356 175.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.19 53.44 18.1 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.92 -177.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.75 HD22 HD11 ' A' ' 42' ' ' ILE . 1.2 tp -80.47 122.96 27.64 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.8 p -73.04 168.96 17.98 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.453 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.23 -34.04 70.0 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.415 -176.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -65.74 -52.4 51.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 111.055 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.616 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 28.1 mt-10 -62.66 -43.58 98.46 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.334 0.588 . . . . 0.0 110.34 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.52 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 55.6 t80 -67.29 -29.15 68.66 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.367 -179.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.446 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 36.8 t70 -69.51 -45.77 68.13 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 177.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.452 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 18.3 tp10 -58.94 -43.95 91.3 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 175.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -56.49 -44.68 80.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.018 174.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 26' ' ' TYR . 56.9 mtmt -62.77 -46.55 87.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.527 0.203 . . . . 0.0 111.018 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.452 ' HE2' ' HA ' ' A' ' 28' ' ' GLU . 43.8 mtmt -60.3 -45.81 92.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.214 0.53 . . . . 0.0 110.202 177.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.524 HH12 ' HB3' ' A' ' 48' ' ' ASP . 77.6 mtt180 -60.98 -40.67 94.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.143 177.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.563 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 20.2 ttt180 -70.2 -33.04 71.21 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.411 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -64.21 -39.69 94.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.235 0.541 . . . . 0.0 109.694 171.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.408 ' HB3' ' O ' ' A' ' 32' ' ' ARG . 32.3 t -61.14 -23.78 65.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.741 178.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.557 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 9.5 mpt_? -104.34 10.59 35.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.263 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.53 30.56 74.85 Favored Glycine 0 CA--C 1.518 0.227 0 C-N-CA 121.079 -0.582 . . . . 0.0 112.509 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.57 -25.18 28.98 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.633 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.89 65.37 7.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.336 0.588 . . . . 0.0 110.972 -178.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.563 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 35.7 t80 -145.96 109.87 4.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.045 -179.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.48 164.52 16.11 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.076 -0.65 . . . . 0.0 110.134 -179.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.75 HD11 HD22 ' A' ' 21' ' ' LEU . 3.1 tp -62.96 -29.57 47.49 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.419 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.85 -42.3 97.61 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.317 0.103 . . . . 0.0 111.118 -177.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.429 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 7.8 t70 -61.06 -37.27 82.05 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 178.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.433 ' CE2' HD21 ' A' ' 21' ' ' LEU . 92.0 t80 -68.74 -48.49 63.64 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.194 174.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.738 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 96.6 mt -60.38 -34.55 74.05 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 123.308 0.643 . . . . 0.0 111.963 -175.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.26 -38.83 88.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.085 0.469 . . . . 0.0 110.58 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.524 ' HB3' HH12 ' A' ' 32' ' ' ARG . 19.0 t70 -76.65 -35.43 57.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.413 176.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.477 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 65.7 ttt-85 -60.35 -41.2 93.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.757 176.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -55.58 -31.71 62.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.498 175.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.651 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 26.1 mtt180 -76.08 -46.19 30.26 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.12 174.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.71 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 50.2 mt-10 -56.79 -31.58 64.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.584 -177.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 49' ' ' ARG . 21.2 mm-40 -52.05 -43.19 63.66 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.246 0.342 . . . . 0.0 111.349 177.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 12.8 pt-20 -88.76 -16.52 31.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.845 0.355 . . . . 0.0 111.124 179.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.651 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 89.6 mt -82.71 -28.81 30.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.482 -175.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.71 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 1.9 pp -87.03 -165.59 1.33 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.243 179.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -51.49 116.78 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.295 0.569 . . . . 0.0 112.33 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -111.38 127.81 55.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.059 177.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -74.05 -23.23 59.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.773 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -75.64 -13.52 60.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.494 -178.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.457 ' HB3' HD13 ' A' ' 64' ' ' ILE . 40.4 tt0 -70.47 -68.14 0.45 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.017 -175.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.443 ' O ' ' HB3' ' A' ' 69' ' ' PHE . 9.0 tp10 -161.89 -95.47 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.139 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.553 ' HA ' ' O ' ' A' ' 68' ' ' GLY . . . -114.33 74.46 0.87 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.195 0.522 . . . . 0.0 111.05 -175.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.457 HD13 ' HB3' ' A' ' 61' ' ' GLU . 4.7 mp -123.58 -23.75 2.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.862 -176.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.668 ' CZ ' ' HA ' ' A' ' 69' ' ' PHE . 18.3 p90 -102.54 135.6 43.88 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.368 -173.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 57.36 -121.47 25.6 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.85 -0.613 . . . . 0.0 112.693 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -76.61 -19.0 58.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.093 0.473 . . . . 0.0 110.596 -179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.553 ' O ' ' HA ' ' A' ' 63' ' ' ALA . . . 152.02 -82.24 0.18 Allowed Glycine 0 N--CA 1.442 -0.948 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -176.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.668 ' HA ' ' CZ ' ' A' ' 65' ' ' PHE . 36.4 p90 -154.77 172.61 17.67 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 139.15 44.51 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.587 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.4 mt -127.26 -65.58 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.664 0.269 . . . . 0.0 110.449 177.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -150.59 153.53 35.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.496 177.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.62 -58.75 0.44 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.264 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.426 HG22 ' HG2' ' A' ' 76' ' ' ARG . 4.2 m -83.56 97.68 9.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.769 -178.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.41 ' O ' ' HG3' ' A' ' 75' ' ' ARG . 24.0 ptt180 -114.59 70.7 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.543 0.687 . . . . 0.0 110.706 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.426 ' HG2' HG22 ' A' ' 74' ' ' THR . 30.5 mmm180 -74.25 -23.73 59.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.565 -178.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.1 p -93.68 128.41 39.86 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.995 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -95.12 -23.64 17.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.703 177.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -128.58 -24.73 2.98 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.344 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.82 66.14 5.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.34 0.591 . . . . 0.0 111.018 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -117.51 137.87 52.27 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -143.11 57.81 1.4 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.27 0.557 . . . . 0.0 110.222 -175.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -138.31 -50.76 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.134 -177.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -112.38 82.71 1.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.304 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.1 mt . . . . . 0 C--O 1.245 0.868 0 CA-C-O 118.335 -0.84 . . . . 0.0 110.295 179.96 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.797 0 N-CA-C 111.798 -0.521 . . . . 0.0 111.798 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -152.83 159.96 31.67 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -177.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -76.81 62.34 7.26 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.105 2.536 . . . . 0.0 112.337 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.06 -3.37 54.61 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.181 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -71.85 -36.36 58.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.952 0.406 . . . . 0.0 111.131 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -154.03 136.96 15.41 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -114.83 -168.22 1.35 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.893 -173.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 p -57.72 122.96 14.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.898 0.38 . . . . 0.0 111.909 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -82.05 53.31 2.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.183 0.516 . . . . 0.0 110.297 175.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.89 50.49 29.25 Favored Glycine 0 CA--C 1.505 -0.569 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.81 -175.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.661 HD22 HD11 ' A' ' 42' ' ' ILE . 1.7 tp -80.41 126.21 30.9 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 45.9 p -74.68 160.69 30.47 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.21 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -51.16 -42.38 60.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 123.242 0.339 . . . . 0.0 111.79 -173.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -63.09 -47.55 82.39 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 111.697 0.258 . . . . 0.0 111.697 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.648 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 36.5 mt-10 -63.63 -42.7 98.14 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 121.184 0.516 . . . . 0.0 109.974 179.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.659 ' CE2' ' HD2' ' A' ' 30' ' ' LYS . 74.6 t80 -66.83 -39.23 87.58 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.43 -179.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.531 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 23.1 t70 -59.41 -47.15 86.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.151 0.5 . . . . 0.0 110.217 175.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.5 ' HA ' ' CE ' ' A' ' 31' ' ' LYS . 41.1 tt0 -61.28 -44.79 96.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.66 178.06 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.469 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 37.2 t80 -55.08 -45.94 75.42 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.924 -1.034 . . . . 0.0 111.088 174.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.659 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 22.3 mtpp -61.26 -48.25 82.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.934 178.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.5 ' CE ' ' HA ' ' A' ' 28' ' ' GLU . 52.7 mtmt -59.08 -45.02 91.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.177 0.513 . . . . 0.0 110.275 177.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.467 ' O ' ' HD2' ' A' ' 36' ' ' ARG . 84.9 mtt180 -61.19 -48.78 79.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.15 176.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.557 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 33.8 ttt180 -62.44 -37.38 85.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.691 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.63 -45.69 91.22 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.049 174.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 70.9 m -63.91 -29.47 70.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.887 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.498 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 3.4 mpt_? -88.44 14.59 9.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 111.011 177.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.34 27.89 72.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.466 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.46 -23.24 33.02 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 121.178 -0.534 . . . . 0.0 112.056 -178.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.93 71.32 10.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.335 0.588 . . . . 0.0 110.833 -177.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.557 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 21.9 t80 -152.45 99.05 2.45 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.45 169.07 18.94 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.987 -178.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.745 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 5.6 tp -62.52 -37.43 78.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 177.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -62.49 -37.8 87.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.258 -177.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -57.88 -43.35 85.97 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.364 0.602 . . . . 0.0 109.469 175.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.517 ' CE2' HD21 ' A' ' 21' ' ' LEU . 82.7 t80 -71.29 -41.79 69.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.573 177.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.745 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 85.5 mt -64.01 -38.43 91.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.859 -174.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.17 -34.83 79.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.759 0.314 . . . . 0.0 110.76 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.589 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 36.3 t70 -78.12 -36.03 48.44 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 175.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 49.3 ttt-85 -57.1 -43.77 82.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.195 175.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -56.37 -31.46 63.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.679 175.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.625 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 10.3 mtt180 -80.71 -33.8 35.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.457 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.589 ' HG3' ' O ' ' A' ' 48' ' ' ASP . 38.2 mt-10 -62.61 -28.29 69.79 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.411 -172.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -62.79 -34.31 77.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.564 0.221 . . . . 0.0 111.548 -176.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.625 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 10.3 pt-20 -87.52 -16.31 35.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.187 0.517 . . . . 0.0 110.581 178.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 68.5 mt -90.39 -35.47 15.16 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.31 -177.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mp -61.18 -43.78 98.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.411 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -105.23 131.1 53.13 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.094 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.442 ' O ' HD13 ' A' ' 64' ' ' ILE . 10.8 tpt180 -154.64 99.51 2.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.936 0.398 . . . . 0.0 110.191 177.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.53 -32.0 62.56 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.872 178.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -76.02 -9.74 58.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.288 -0.869 . . . . 0.0 112.048 -175.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.48 ' HB3' HD13 ' A' ' 64' ' ' ILE . 9.1 tp10 -75.93 -71.51 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.904 -0.319 . . . . 0.0 111.113 -177.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -139.08 -87.38 0.22 Allowed 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.427 -175.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -133.04 32.53 3.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.967 0.413 . . . . 0.0 111.331 -176.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.596 ' H ' HD12 ' A' ' 64' ' ' ILE . 3.2 mp -88.83 64.36 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-O 121.323 0.582 . . . . 0.0 109.827 -175.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -169.19 -25.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.742 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 127.08 174.99 13.94 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 34.4 t70 68.99 -62.51 0.4 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.46 0.704 . . . . 0.0 111.773 178.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 149.09 -172.37 29.2 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -109.0 35.1 3.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.484 0.659 . . . . 0.0 110.677 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.61 -21.7 79.17 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.297 174.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.7 mt -65.42 -43.3 90.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.021 0.438 . . . . 0.0 110.169 176.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -150.47 126.6 10.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.926 -179.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -143.84 -65.15 0.37 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.102 177.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.5 m -73.91 113.85 11.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.717 176.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 75' ' ' ARG . 11.0 mmt180 -73.74 87.59 1.72 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.005 -176.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -76.29 128.56 35.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.477 -177.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.9 m -85.09 70.21 10.87 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 173.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -70.23 -60.34 2.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.701 -173.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.459 ' HD3' ' O ' ' A' ' 79' ' ' LYS . 11.8 tmtt? -87.74 -35.3 17.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.809 -176.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.72 66.71 7.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.69 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 82' ' ' ARG . 12.0 tp10 -71.86 -50.29 30.78 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.0 179.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.473 ' HD3' ' HB2' ' A' ' 85' ' ' LEU . 36.0 ttm180 73.26 -55.71 0.67 Allowed 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.62 0.575 . . . . 0.0 112.496 171.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 60.26 64.23 1.26 Allowed 'General case' 0 C--O 1.238 0.45 0 CA-C-O 120.923 0.392 . . . . 0.0 110.589 -177.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt 69.99 146.72 0.06 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.748 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.473 ' HB2' ' HD3' ' A' ' 82' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.477 -0.773 . . . . 0.0 109.325 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.556 ' O ' ' HB3' ' A' ' 41' ' ' SER . . . . . . . . 0 N--CA 1.484 1.864 0 N-CA-C 112.09 -0.404 . . . . 0.0 112.09 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.441 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 99.5 mtt180 -76.64 131.39 74.16 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 120.576 0.227 . . . . 0.0 110.901 -177.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 12' ' ' ARG . 24.2 Cg_exo -64.54 120.27 7.52 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.983 2.455 . . . . 0.0 112.497 -178.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.69 -12.33 32.88 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.479 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.5 p -134.28 -46.11 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.877 0.37 . . . . 0.0 110.998 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -87.17 75.85 9.33 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 177.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -75.39 81.68 2.47 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.326 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.435 ' HB ' ' HB2' ' A' ' 21' ' ' LEU . 7.5 p 68.28 164.96 0.24 Allowed 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 124.827 1.251 . . . . 0.0 111.771 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -99.04 36.87 1.62 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.656 177.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.12 51.14 3.25 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.283 -175.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.762 HD22 HD11 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -77.61 115.53 17.44 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.169 0.509 . . . . 0.0 110.384 -178.872 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.1 p -71.47 166.43 21.76 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.897 176.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -54.64 -39.77 68.33 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.413 0.149 . . . . 0.0 111.265 -174.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.61 -50.36 72.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.356 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.534 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 56.4 mm-40 -61.74 -45.68 92.87 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.24 0.543 . . . . 0.0 110.191 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.581 ' CE2' ' HD2' ' A' ' 30' ' ' LYS . 75.3 t80 -63.82 -37.18 86.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.515 -178.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.543 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 33.6 t70 -60.64 -45.36 94.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.455 176.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -62.13 -45.46 93.36 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.663 177.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.402 ' CE1' ' HA ' ' A' ' 42' ' ' ILE . 38.3 t80 -55.24 -44.44 75.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.111 176.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.581 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 22.9 mtpp -60.13 -49.29 78.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.74 177.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -56.89 -44.01 81.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.44 0.638 . . . . 0.0 110.322 178.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -68.93 -42.33 76.91 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.361 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.568 ' HA ' ' CB ' ' A' ' 40' ' ' TYR . 39.4 ttt180 -65.4 -37.76 87.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.844 179.048 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -61.93 -42.78 99.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.047 0.451 . . . . 0.0 110.139 175.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.7 t -60.69 -38.69 85.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.998 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.547 ' HB2' ' HB2' ' A' ' 40' ' ' TYR . 3.5 mpt_? -81.37 4.07 22.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.797 0.332 . . . . 0.0 111.331 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.42 31.65 63.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.551 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.32 -17.57 42.38 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.189 -0.529 . . . . 0.0 111.936 -179.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -85.2 63.24 7.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.354 0.597 . . . . 0.0 110.174 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.568 ' CB ' ' HA ' ' A' ' 33' ' ' ARG . 16.2 t80 -146.01 103.87 3.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.639 -178.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.556 ' HB3' ' O ' ' A' ' 11' ' ' GLY . 0.2 OUTLIER -78.86 169.28 18.46 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.681 179.02 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.762 HD11 HD22 ' A' ' 21' ' ' LEU . 3.1 tp -69.11 -34.53 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.117 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -66.78 -34.1 77.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.732 0.301 . . . . 0.0 110.915 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -64.3 -35.36 80.61 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 174.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.546 ' CE2' ' HD2' ' A' ' 49' ' ' ARG . 81.9 t80 -71.86 -49.47 37.89 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.067 173.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.659 ' HG ' ' O ' ' A' ' 42' ' ' ILE . 86.1 mt -59.29 -30.76 68.55 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.809 -175.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.63 -43.75 75.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.808 0.337 . . . . 0.0 111.16 177.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.598 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 37.7 t70 -77.2 -27.02 53.41 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.546 ' HD2' ' CE2' ' A' ' 45' ' ' TYR . 50.0 ttt-85 -65.42 -38.21 89.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.676 174.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.649 ' HG2' ' O ' ' A' ' 46' ' ' LEU . 63.1 mm-40 -56.26 -34.6 66.55 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.631 172.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.579 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 3.1 mmp_? -69.85 -51.96 28.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.224 174.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.755 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 40.9 mt-10 -52.41 -47.31 66.38 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 114.839 -1.073 . . . . 0.0 112.405 -175.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -55.47 -35.88 65.98 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -173.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -87.67 -19.49 27.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.101 0.477 . . . . 0.0 110.718 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 51' ' ' ARG . 94.9 mt -90.24 -10.32 44.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.026 -177.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.755 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 85.1 mt -76.85 -152.79 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.576 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.586 ' O ' HD13 ' A' ' 64' ' ' ILE . 48.2 mt-10 69.76 -66.59 0.26 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.341 0.656 . . . . 0.0 110.674 -177.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -49.33 113.57 0.84 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.297 0.373 . . . . 0.0 110.435 176.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.3 t70 75.48 -49.79 0.63 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.475 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -58.7 -38.87 79.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.33 -177.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.52 ' HB2' ' HA ' ' A' ' 57' ' ' GLU . 29.8 tt0 -87.96 14.41 9.0 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.82 0.343 . . . . 0.0 111.849 -173.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 77.61 -25.07 0.2 Allowed 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 165.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.412 ' C ' HD12 ' A' ' 64' ' ' ILE . . . -129.96 64.01 1.53 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.396 -0.815 . . . . 0.0 112.405 -175.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.586 HD13 ' O ' ' A' ' 57' ' ' GLU . 5.2 mp -143.16 -48.06 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-O 121.331 0.586 . . . . 0.0 110.661 177.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -64.6 155.77 32.15 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.931 -174.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.78 169.56 42.76 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.829 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -90.08 39.59 0.97 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.625 0.726 . . . . 0.0 109.449 176.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 169.93 92.11 0.08 OUTLIER Glycine 0 N--CA 1.44 -1.091 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.567 -176.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -86.53 20.49 2.45 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.032 0.444 . . . . 0.0 111.297 -175.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -83.43 49.38 4.22 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.648 175.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.3 mt -95.0 -72.45 0.62 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.918 0.39 . . . . 0.0 110.356 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -131.1 73.18 1.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.41 21.54 2.44 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.015 0.436 . . . . 0.0 111.111 -177.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.5 p -97.42 142.94 28.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.612 178.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -94.11 -5.25 47.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.268 0.556 . . . . 0.0 110.369 177.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 61.75 45.77 7.56 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 114.676 -1.147 . . . . 0.0 110.543 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.0 p -79.39 119.96 23.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.802 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -121.32 1.8 10.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.144 0.497 . . . . 0.0 110.054 177.066 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 82' ' ' ARG . 67.4 mttm -132.76 37.23 3.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.051 177.15 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.35 -12.23 59.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.016 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -64.09 -38.06 89.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.49 176.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 37.8 ptt180 -84.87 -1.11 56.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.713 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 67.21 -68.95 0.14 Allowed 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.924 0.765 . . . . 0.0 111.157 -176.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -123.47 -75.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.959 177.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.1 mt . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.559 -178.426 . . . . . . . . 0 0 . 1 stop_ save_